SCHEMBL230257

SCHEMBL230257

COC(=O)C1(C(=O)O)CCC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.38
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
FFAR3 O14843 1/20 0.35
MAPT P10636 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 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
SCHEMBL757321 0.95 NPSR1 (0.48) NPSR1LMNACYP4F2CYP4A11FFAR3
SCHEMBL7440708 0.93 NPSR1 (0.47) NPSR1LMNACYP4F2CYP4A11FFAR3
SCHEMBL902070 0.93 NPSR1 (0.47) NPSR1LMNACYP4F2CYP4A11FFAR3
SCHEMBL9806701 0.93 NPSR1 (0.47) NPSR1LMNACYP4F2CYP4A11FFAR3
SCHEMBL3681568 0.91 NPSR1 (0.45) NPSR1LMNACYP4F2CYP4A11FFAR3
SCHEMBL5719495 0.91 NPSR1 (0.45) NPSR1LMNACYP4F2CYP4A11FFAR3
SCHEMBL71320 0.90 NPSR1 (0.41) NPSR1LMNACYP4F2CYP4A11FFAR3
SCHEMBL230256 0.87 NPSR1 (0.48) NPSR1LMNACYP4F2CYP4A11MAPT
SCHEMBL759802 0.82 NPSR1 (0.54) NPSR1LMNACYP4F2CYP4A11MAPT
SCHEMBL28832911 0.80 OPRM1 (0.40) NPSR1LMNACYP4F2CYP4A11FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025236100-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2025-11-20 WO disclosed
EP-4551578-A1 MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2025-05-14 EP disclosed
CN-117677614-A Heterocyclic compound with AKT kinase inhibition activity, preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-03-08 CN disclosed
WO-2024008610-A1 MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-01-11 WO disclosed
US-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-11-16 US disclosed
CN-116615193-A Tumoxic acid monoester derivative as selective FABP5 inhibitor, pharmaceutical composition and application thereof 纽约州立大学研究基金会 2023-08-18 CN disclosed
EP-4225292-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF The Research Foundation for The State University of New York (US) 2023-08-16 EP disclosed
CN-116514817-A Heterocyclic compound with AKT kinase inhibition activity, preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-08-01 CN disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
WO-2022076820-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-04-14 WO disclosed
EP-2781522-A1 OPTICALLY ACTIVE BISOXAZOLINE COMPOUND, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANE COMPOUND USING SAID CATALYST Sumitomo Chemical Company, Limited (JP) 2014-09-24 EP disclosed
WO-2013105676-A1 BENZIMIDAZOLE DERIVATIVES AS MCH RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-18 WO disclosed
US-8415350-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-01-05 US disclosed
US-8039490-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2011-10-18 US disclosed
US-7507742-B2 Spirocyclic derivatives PFIZER INC. (US) 2009-03-24 US disclosed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
US-20070129388-A1 Phosphodiesterases inhibitors specially PDE7; To treat pain, especially neuropathic pain; superior pharmacokinetics; 3-[(8'-Chloro-2'-oxo-2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'-yl)oxy]cyclobutanecarboxylic acid PFIZER, INC. 2007-06-07 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 (4 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-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR2C NPSR1 21/4885LMNA 3403/4885CYP4F2 1723/4885
US-20070197531-A1 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HTR2A, HTR3A, HTR2C NPSR1 21/4885LMNA 3403/4885CYP4F2 1723/4885
US-20070129388-A1 Phosphodiesterases inhibitors specially PDE7; To treat pain, especially neuropathic pain; superior pharmacokinetics; 3-[(8'-Chloro-2'-oxo-2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'-yl)oxy]cyclobutanecarboxylic acid PDE7A, PDE7B, PDE3A NPSR1 351/4885LMNA 1941/4885CYP4F2 640/4885
US-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF FABP5, FABP1, FABP4 NPSR1 2852/4885LMNA 2197/4885CYP4F2 827/4885

“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.