SCHEMBL7649809

SCHEMBL7649809

CCc1nnc(C(C)C)o1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
CTSK P43235 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL11329020 0.82 S1PR1 (0.35) S1PR1
SCHEMBL12299809 0.82 MAPT (0.42) CTSK
SCHEMBL19245762 0.82 S1PR1 (0.33) S1PR1
SCHEMBL18460622 0.82 S1PR1 (0.33) S1PR1
SCHEMBL25017779 0.81 GRIN1 (0.30) GRIN1GRIN2B
SCHEMBL11325095 0.79 ALDH1A1 (0.42) GRIN1GRIN2B
SCHEMBL13856441 0.79 NOTUM (0.42) CTSK
SCHEMBL22600415 0.79 NOTUM (0.42) GRIN1GRIN2B
SCHEMBL19229031 0.79 BRD4 (0.30)
SCHEMBL7602053 0.79 ELANE (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105104-A1 MICROBIOCIDAL TETRAHYDROISOQUINOLINE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-05-23 WO disclosed
WO-2024026500-A2 INHIBITORS OF PDE11A4 AND METHODS OF USING SAME UNIVERSITY OF MARYLAND, BALTIMORE (US) 2024-02-01 WO disclosed
WO-2023227757-A1 QUINONE PROTECTED FORMS AND CONJUGATES CAMBRIDGE ENTERPRISE LIMITED (GB) 2023-11-30 WO disclosed
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC (US) 2023-10-26 US disclosed
EP-4248975-A2 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2023-09-27 EP disclosed
WO-2023177356-A2 COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2023-09-21 WO disclosed
US-20230265429-A1 SKELETAL MUSCLE DELIVERY PLATFORMS AND METHODS OF USE THEREOF Arrowhead Pharmaceuticals, Inc. 2023-08-24 US disclosed
US-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. 2023-08-24 US disclosed
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2023-04-20 US disclosed
US-20230058950-A1 UREA COMPOUND HAVING SUBSTITUENT DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-23 US disclosed
US-20080280871-A1 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases NOVARTIS AG (CH) 2008-11-13 US disclosed
US-20080280871-A1 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases NOVARTIS AG (CH) 2008-11-13 US disclosed
WO-2007117381-A9 2 -AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2008-03-27 WO disclosed
WO-2007117381-A2 2 -AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-10-18 WO disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-20070191433-A1 Acylated piperidine derivatives as melanocortin 4-receptor agonists MERCK SHARP & DOHME CORP. 2007-08-16 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO 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 (10 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 S1PR1 414/4885CTSK 567/4885GRIN1 4665/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 S1PR1 414/4885CTSK 567/4885GRIN1 4665/4885
US-20230058950-A1 UREA COMPOUND HAVING SUBSTITUENT SIRT6, SIRT1, SIRT2 S1PR1 1538/4885CTSK 3626/4885GRIN1 3834/4885
US-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 USP28, USP1, USP18 S1PR1 4154/4885CTSK 1583/4885GRIN1 2622/4885
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, PLA2G10, LPCAT1 S1PR1 170/4885CTSK 229/4885GRIN1 3601/4885
US-20080280871-A1 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases PI4KA, IP6K3, PHOSPHO1 S1PR1 63/4885CTSK 2760/4885GRIN1 3254/4885
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 S1PR1 3358/4885CTSK 2675/4885GRIN1 3252/4885
US-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 S1PR1 150/4885CTSK 4223/4885GRIN1 141/4885
US-20230265429-A1 SKELETAL MUSCLE DELIVERY PLATFORMS AND METHODS OF USE THEREOF MUSK, MYLK2, TNNC1 S1PR1 1060/4885CTSK 2132/4885GRIN1 4703/4885
US-20070191433-A1 Acylated piperidine derivatives as melanocortin 4-receptor agonists MC4R, MC5R, MC3R S1PR1 1076/4885CTSK 3275/4885GRIN1 1095/4885

“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.