SCHEMBL3198447

SCHEMBL3198447

CC(C)C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.74
SMN1; SMN2 Q16637 4/20 0.74
KMT2A Q03164 4/20 0.70
MEN1 O00255 3/20 0.70
TSHR P16473 4/20 0.62
MAPK1 P28482 2/20 0.62
HTT P42858 1/20 0.62
LMNA P02545 4/20 0.60
KDM4E B2RXH2 2/20 0.59
NPSR1 Q6W5P4 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
FAAH O00519 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL1394606 0.89 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL1393987 0.89 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL1393985 0.89 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
Hydrochloric Acid SCHEMBL1394710 0.88 KMT2A (0.71) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
Hydrochloric Acid SCHEMBL1394707 0.88 KMT2A (0.71) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL12138922 0.86 HSD17B10 (0.74) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL16026512 0.85 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL3917102 0.84 LMNA (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL188521 0.84 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL26763801 0.84 KDM4E (0.67) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
US-20230141212-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
US-20230141212-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2023-01-24 US disclosed
US-11274094-B2 Substituted benzenecarboxamides as IL-17A modulators DICE ALPHA, INC. (US) 2022-03-15 US disclosed
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient DONG WHA PHARM. CO., LTD. (KR) 2021-06-08 US disclosed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 US disclosed
WO-2004098604-A1 THERAPEUTIC AGENTS COMPRISING AN ANTI-ANGIOGENIC AGENT IN COMBINATION WITH AN SRC-INHIBITOR AND THEIR THERAPEUTIC USE ASTRAZENECA AB (SE) 2004-11-18 WO disclosed
WO-2004087120-A2 USE OF QUINAZOLINE DERIVATIVES WITH SRC KINASE INHIBITORY ACTIVITY FOR THE TREATMENT OF HYPERTENSION ASTRAZENECA AB (SE) 2004-10-14 WO disclosed
EP-1453492-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-08 EP disclosed
WO-2004043472-A1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE ASTRAZENECA AB (SE) 2004-05-27 WO disclosed
WO-2004041829-A1 QUINAZOLINE DERIVATIVES AS SRC TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-05-21 WO disclosed
CN-1471527-A Quinazoline derivatives 2004-01-28 CN disclosed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP disclosed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 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 (8 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A ALDH1A1 983/4885SMN1; SMN2 3416/4885KMT2A 4505/4885
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient BRD4, BET1, BRD3 ALDH1A1 4699/4885SMN1; SMN2 4275/4885KMT2A 276/4885
US-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS IL17A, IL2, IL23R ALDH1A1 372/4885SMN1; SMN2 4795/4885KMT2A 3300/4885
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885SMN1; SMN2 4331/4885KMT2A 3544/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 ALDH1A1 2765/4885SMN1; SMN2 4331/4885KMT2A 3544/4885
US-11274094-B2 Substituted benzenecarboxamides as IL-17A modulators IL17A, IL23R, IL18 ALDH1A1 753/4885SMN1; SMN2 4800/4885KMT2A 3282/4885
US-20230141212-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS IL17A, IL2, IL23R ALDH1A1 372/4885SMN1; SMN2 4795/4885KMT2A 3300/4885
US-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 ALDH1A1 315/4885SMN1; SMN2 2546/4885KMT2A 2659/4885

“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.