SCHEMBL108442

SCHEMBL108442

COC(=O)[C@H]1CC[C@H](OC)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
POLB P06746 1/20 0.41
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
EPHX2 P34913 1/20 0.39
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL13339539 1.00 TP53 (0.47) TP53GAASMN1; SMN2CHRNB2CHRNA4
SCHEMBL6827910 1.00 TP53 (0.47) TP53GAASMN1; SMN2CHRNB2CHRNA4
SCHEMBL17453219 0.94 TP53 (0.47) TP53GAASMN1; SMN2CHRNB2CHRNA4
SCHEMBL6934192 0.88 EPHX2 (0.36) TP53GAASMN1; SMN2EPHX2
SCHEMBL2948892 0.87 TP53 (0.56) TP53GAASMN1; SMN2CHRNB2CHRNA4
SCHEMBL244740 0.87
SCHEMBL74396 0.87 TP53 (0.56) TP53GAASMN1; SMN2CHRNB2CHRNA4
SCHEMBL2200767 0.87 TP53 (0.56) TP53GAASMN1; SMN2CHRNB2CHRNA4
SCHEMBL21451205 0.86 CHRNB2 (0.44) TP53GAASMN1; SMN2CHRNB2CHRNA4
SCHEMBL17802837 0.86 TP53 (0.47) TP53GAASMN1; SMN2CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240391871-A1 SUBSTITUTED HYDROXYMETHYL PYRROLIDINES AND MEDICAL USES THEREOF ATROGI AB (SE) 2024-11-28 US disclosed
US-20240390298-A1 CYCLOHEXYL BETA-HYDROXY ALKYL AMINES AND MEDICAL USES THEREOF ATROGI AB (SE) 2024-11-28 US disclosed
EP-4405041-A1 CYCLOHEXYL BETA-HYDROXY ALKYL AMINES AND MEDICAL USES THEREOF Atrogi AB (SE) 2024-07-31 EP disclosed
US-20230271940-A1 HETEROARYL SUBSTITUTED 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2023-08-31 US disclosed
US-20230271940-A1 HETEROARYL SUBSTITUTED 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2023-08-31 US disclosed
WO-2023046882-A1 CYCLOHEXYL BETA-HYDROXY ALKYL AMINES AND MEDICAL USES THEREOF ATROGI AB (SE) 2023-03-30 WO disclosed
EP-3226688-B1 TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME (US) 2020-07-01 EP disclosed
US-10442819-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes MERCK SHARP & DOHME CORP. (US) 2019-10-15 US disclosed
US-10138236-B2 Factor xia-inhibiting pyridobenzazepine and pyridobenzazocine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-27 US disclosed
US-20170369507-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2017-12-28 US disclosed
US-20170275282-A1 FACTOR XIA-INHIBITING PYRIDOBENZAZEPINE AND PYRIDOBENZAZOCINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20170275282-A1 FACTOR XIA-INHIBITING PYRIDOBENZAZEPINE AND PYRIDOBENZAZOCINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-20170275282-A1 FACTOR XIA-INHIBITING PYRIDOBENZAZEPINE AND PYRIDOBENZAZOCINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
WO-2016089797-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed
WO-2016046157-A1 FACTOR XIA-INHIBITING PYRIDOBENZAZEPINE AND PYRIDOBENZAZOCINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-31 WO disclosed
US-8828989-B2 Oxy-cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[E]azulenes as V1A antagonists HOFFMANN-LA ROCHE INC. (US) 2014-09-09 US disclosed
US-20130079333-A1 OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 US disclosed
US-8299060-B2 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl] (2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid ELI LILLY AND COMPANY (US) 2012-10-30 US disclosed
US-20120058990-A1 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl] (2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid ELI LILLY AND COMPANY (US) 2012-03-08 US disclosed
WO-2010062415-A1 NITROOXY CYCLOALKANE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-06-03 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 (9 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-10138236-B2 Factor xia-inhibiting pyridobenzazepine and pyridobenzazocine derivatives F13B, TFPI, TFPI2 TP53 4837/4885GAA 2228/4885SMN1; SMN2 4800/4885
US-20240390298-A1 CYCLOHEXYL BETA-HYDROXY ALKYL AMINES AND MEDICAL USES THEREOF H1-5, CYP3A5, HRH3 TP53 3200/4885GAA 660/4885SMN1; SMN2 2479/4885
US-20240391871-A1 SUBSTITUTED HYDROXYMETHYL PYRROLIDINES AND MEDICAL USES THEREOF CYP3A5, PRMT5, CYP11B2 TP53 2102/4885GAA 1624/4885SMN1; SMN2 1535/4885
US-20230271940-A1 HETEROARYL SUBSTITUTED 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF XDH, SLCO1B3, ROR1 TP53 3676/4885GAA 1150/4885SMN1; SMN2 1130/4885
US-10442819-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes IDH3A, IDH2, IDH3B TP53 6/4885GAA 948/4885SMN1; SMN2 3984/4885
US-20120058990-A1 Trans-4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl] (2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-cyclohexanecarboxylic acid H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NT5C, HTR5A TP53 3280/4885GAA 1462/4885SMN1; SMN2 2911/4885
US-20130079333-A1 OXY-CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS AVPR1A, AVPR1B, ADRA2A TP53 3080/4885GAA 1935/4885SMN1; SMN2 4160/4885
US-20170369507-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES IDH3A, IDH3B, IDH2 TP53 7/4885GAA 981/4885SMN1; SMN2 3945/4885
US-20170275282-A1 FACTOR XIA-INHIBITING PYRIDOBENZAZEPINE AND PYRIDOBENZAZOCINE DERIVATIVES F13B, TFPI, TFPI2 TP53 4837/4885GAA 2228/4885SMN1; SMN2 4800/4885

“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.