SCHEMBL6662834

SCHEMBL6662834

CC(C)C(=O)c1cnc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HRH3 Q9Y5N1 2/20 0.43
GAA P10253 1/20 0.41
AOC1 P19801 1/20 0.41
KMT2A Q03164 3/20 0.41
ESR1 P03372 1/20 0.41
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
GABRA1 P14867 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRR2 P28476 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38

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
SCHEMBL5164313 0.82 TP53 (0.44) TP53SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL6670423 0.81 HRH3 (0.42) TP53SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL5160606 0.80 TP53 (0.41) TP53SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL19234747 0.79 AOC1 (0.46) TP53SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL6664871 0.79 AOC1 (0.42) TP53SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL10352986 0.78 NPC1 (0.42) TP53SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL5163320 0.76 AOC1 (0.43) TP53SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL890216 0.76
SCHEMBL26137400 0.75 AOC1 (0.50) TP53SMN1; SMN2NPC1RAB9AHRH3
SCHEMBL11033825 0.75 GAA (0.51) TP53SMN1; SMN2NPC1RAB9AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450795-A1 PEPTIDE ISOSTERES CONTAINING A HETEROCYCLE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-09-01 EP claimed
WO-2003047576-A1 PEPTIDE ISOSTERES CONTAINING A HETEROCYCLE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-06-12 WO claimed
EP-0603309-A1 PEPTIDE ISOTERS CONTAINING A HETEROCYCLE AS H.I.V. INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-06-29 EP claimed
EP-3932919-B1 JAK INHIBITOR COMPOUND AND USE THEREOF HENAN MEDINNO PHARMACEUTICAL TECH CO LTD (CN) 2024-06-26 EP disclosed
CN-117343063-A Compounds as TRK inhibitors and/or RET inhibitors and uses thereof 河南迈英诺医药科技有限公司 2024-01-05 CN disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
EP-3340983-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2023-10-04 EP disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2007-12-27 US disclosed
US-20070042952-A1 Analogues of glp-1 IPSEN PHARMA S.A.S. (FR) 2007-02-22 US disclosed
US-20070042952-A1 Analogues of glp-1 IPSEN PHARMA S.A.S. (FR) 2007-02-22 US disclosed
EP-1450795-A1 PEPTIDE ISOSTERES CONTAINING A HETEROCYCLE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-09-01 EP disclosed
WO-2003047576-A1 PEPTIDE ISOSTERES CONTAINING A HETEROCYCLE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-06-12 WO disclosed
EP-0603309-A1 PEPTIDE ISOTERS CONTAINING A HETEROCYCLE AS H.I.V. INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-06-29 EP disclosed
WO-1993005026-A1 PEPTIDE ISOTERS CONTAINING A HETEROCYCLE AS H.I.V. INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-18 WO disclosed
US-4717512-A Preparation of acylated glycerophosphocholines and glycerophosphoethanolamines CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1988-01-05 US disclosed
US-4622180-A Derivatives of glycerophosphocholine and glycerophosphoethanolamine, their preparation and their use CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-11-11 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 (6 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-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 TP53 3869/4885SMN1; SMN2 2201/4885NPC1 1081/4885
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH TP53 4507/4885SMN1; SMN2 2037/4885NPC1 245/4885
US-20070042952-A1 Analogues of glp-1 GLP1R, IAPP, GIPR TP53 3674/4885SMN1; SMN2 1262/4885NPC1 862/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH TP53 4378/4885SMN1; SMN2 3485/4885NPC1 488/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH TP53 4378/4885SMN1; SMN2 3485/4885NPC1 488/4885
US-20070299078-A1 Quinoxalinyl Macrocyclic Hepatitis C Virus Serine Protease Inhibitors PRSS1, SPINT2, CTSC TP53 760/4885SMN1; SMN2 3674/4885NPC1 295/4885

“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.