Sugi Predict

Sugi Predict / Compounds / SCHEMBL2604908

SCHEMBL2604908

SCHEMBL2604908

CCc1ccc(C(C)C)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.42
▸ ESR2 Q92731 2/20 0.42
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CHRNA7 P36544 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ IDO1 P14902 2/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ RXRA P19793 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ TYR P14679 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19538743 0.85 ESR1 (0.42) ESR1ESR2NPC1RAB9APDE10A
SCHEMBL3266864 0.83 ESR1 (0.43) ESR1ESR2NPC1RAB9ALMNA
SCHEMBL12243808 0.83 ESR1 (0.40) ESR1ESR2NPC1RAB9APDE10A
SCHEMBL14480080 0.83 ESR1 (0.40) ESR1ESR2PRMT5WDR77HRH3
SCHEMBL31003243 0.83 ESR1 (0.43) ESR1ESR2LMNASMN1; SMN2RXRA
SCHEMBL12885846 0.83 ESR1 (0.43) ESR1ESR2LMNASMN1; SMN2RXRA
SCHEMBL14645814 0.83 ESR1 (0.40) ESR1ESR2PRMT5WDR77HRH3
SCHEMBL15831685 0.81 ESR1 (0.41) ESR1ESR2NPC1RAB9ACHRNA7
SCHEMBL16647732 0.81 MBOAT4 (0.42) ESR1ESR2LMNAMEN1KMT2A
SCHEMBL20802535 0.81 ESR1 (0.41) ESR1ESR2NPC1RAB9ACHRNA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 197 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2024-07-18 — — US disclosed
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 — — US disclosed
CN-117658947-A 5- (substituted aryl) -1,2, 5-thiadiazolin-3-one compounds with protein tyrosine phosphatase inhibiting effect 杭州中美华东制药有限公司 2024-03-08 — — CN disclosed
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 — — US disclosed
US-11834440-B2 Beta-lactam derivatives for the treatment of diseases INSILICO MEDICINE IP LIMITED (HK) 2023-12-05 — — US disclosed
US-20230382923-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-11-30 — — US disclosed
US-20230382923-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-11-30 — — US disclosed
US-11826351-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2023-11-28 — — US disclosed
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-11-23 — — US disclosed
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 — — US disclosed
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-06-17 — — US disclosed
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-04-22 — — US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 — — US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 — — US disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 — — US disclosed
US-20090118311-A1 DHFR Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-05-07 — — US disclosed
US-20090104677-A1 Heteroaromatic Selective Inhibitors of Neuronal Nitric Oxide Synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-23 — — US disclosed
US-7470790-B2 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2008-12-30 — — US disclosed
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-08 — — US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 ESR1 1088/4885ESR2 1090/4885NPC1 3/4885
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LPAR1, LPAR2, LPAR5 ESR1 2586/4885ESR2 1710/4885NPC1 183/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C ESR1 2930/4885ESR2 3847/4885NPC1 3670/4885
US-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF FAP, FIBP, FGFR1 ESR1 3604/4885ESR2 2335/4885NPC1 2172/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ESR1 4102/4885ESR2 3331/4885NPC1 2922/4885
US-20090118311-A1 DHFR Enzyme Inhibitors DHFR, MTHFD1, ALDH7A1 ESR1 1175/4885ESR2 317/4885NPC1 2283/4885
US-11834440-B2 Beta-lactam derivatives for the treatment of diseases QPCT, QPCTL, BCAT1 ESR1 4164/4885ESR2 3204/4885NPC1 3110/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 ESR1 1745/4885ESR2 1727/4885NPC1 2797/4885
US-11826351-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK ESR1 3187/4885ESR2 4309/4885NPC1 3295/4885
US-20100099667-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C ESR1 2630/4885ESR2 3560/4885NPC1 2839/4885
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NOS1, NOS2, NOS3 ESR1 3114/4885ESR2 3278/4885NPC1 462/4885
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE ACE2, ACE, TMPRSS2 ESR1 3888/4885ESR2 2860/4885NPC1 691/4885
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK ESR1 3187/4885ESR2 4309/4885NPC1 3295/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A ESR1 1816/4885ESR2 3434/4885NPC1 3798/4885
US-20230382923-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, BRCA1 ESR1 594/4885ESR2 577/4885NPC1 3640/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.