SCHEMBL971781

SCHEMBL971781

CON(C)C(=O)C1CCCN(C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
F2R P25116 1/20 0.39
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
BCHE P06276 1/20 0.37
GRM3 Q14832 1/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
RAB9A P51151 1/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36

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
SCHEMBL3322339 1.00 HPGD (0.40) HPGDITGB3ITGA2BF2RALDH1A1
SCHEMBL2847700 1.00 HPGD (0.40) HPGDITGB3ITGA2BF2RALDH1A1
SCHEMBL969838 0.90 SMN1; SMN2 (0.38) HPGDALDH1A1SMN1; SMN2GAANPC1
SCHEMBL895391 0.90 SMN1; SMN2 (0.38) HPGDALDH1A1SMN1; SMN2GAANPC1
SCHEMBL586633 0.90 SMN1; SMN2 (0.38) HPGDALDH1A1SMN1; SMN2GAANPC1
SCHEMBL15321741 0.83 BCHE (0.50) HPGDITGB3ITGA2BF2RALDH1A1
SCHEMBL3713407 0.83
SCHEMBL442932 0.81 MEN1 (0.56) HPGDALDH1A1
SCHEMBL1249710 0.81 MEN1 (0.56) HPGDALDH1A1
SCHEMBL968401 0.81 MEN1 (0.56) HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
CN-118359610-A MENIN-MLL interaction inhibitors 生命医药有限责任公司 2024-07-19 CN disclosed
US-20230295113-A1 NLRP3 MODULATORS ZOMAGEN BIOSCIENCES LTD 2023-09-21 US disclosed
WO-2023178099-A1 NLRP3 MODULATORS ZOMAGEN BIOSCIENCES LTD (US) 2023-09-21 WO disclosed
CN-107406414-B (piperidin-3-yl) (naphthalen-2-yl) methanone derivatives as inhibitors of histone demethylase KDM2B for the treatment of cancer 基因泰克公司 2022-04-19 CN disclosed
EP-3082809-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2021-01-20 EP disclosed
US-10280149-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-05-07 US disclosed
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 US disclosed
US-9834554-B2 BTK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
EP-3242872-A1 (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER Genentech, Inc. (US) 2017-11-15 EP disclosed
WO-2008036247-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-03-27 WO disclosed
WO-2008023258-A1 PIPERIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-28 WO disclosed
WO-2007117557-A2 DIAMINOPROPANOL RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed
CN-1476442-A Pyridine derivatives with IKB-kinase (IKK-beta) INhibiting activity 2004-02-18 CN 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 (3 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-10280149-B2 Therapeutic compounds and uses thereof KDM1B, KDM6B, KDM2B HPGD 1780/4885ITGB3 3977/4885ITGA2B 3302/4885
US-20230295113-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 HPGD 964/4885ITGB3 4532/4885ITGA2B 4553/4885
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B HPGD 1780/4885ITGB3 3977/4885ITGA2B 3302/4885

“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.