SCHEMBL114925

SCHEMBL114925

COC(=O)[C@@H]1C[C@@H](C)CN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.47
MMP2 P08253 2/20 0.43
ANPEP P15144 2/20 0.43
CYP3A4 P08684 3/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 1/20 0.41
PTPN1 P18031 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.37
MAPT P10636 2/20 0.36
P2RX3 P56373 1/20 0.36
PDE4B Q07343 1/20 0.36
HTRA1 Q92743 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL18462537 1.00 PEPD (0.47) PEPDMMP2ANPEPCYP3A4CYP1A2
SCHEMBL18589421 1.00 PEPD (0.47) PEPDMMP2ANPEPCYP3A4CYP1A2
SCHEMBL16357004 1.00 PEPD (0.47) PEPDMMP2ANPEPCYP3A4CYP1A2
SCHEMBL882756 1.00 PEPD (0.47) PEPDMMP2ANPEPCYP3A4CYP1A2
SCHEMBL14205631 1.00 PEPD (0.47) PEPDMMP2ANPEPCYP3A4CYP1A2
SCHEMBL24645309 1.00 PEPD (0.47) PEPDMMP2ANPEPCYP3A4CYP1A2
SCHEMBL4703753 0.90 CHRM2 (0.42) PEPDCYP3A4CYP1A2POLBCYP2C19
SCHEMBL27017249 0.90 CHRM2 (0.42) PEPDCYP3A4CYP1A2POLBCYP2C19
SCHEMBL20006799 0.88 MMP2 (0.41) PEPDMMP2ANPEPCYP3A4CYP1A2
SCHEMBL1412106 0.88 CYP3A4 (0.53) PEPDMMP2ANPEPCYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11865108-B2 Nitrogen containing bicyclic compounds WOCKHARDT LIMITED (IN) 2024-01-09 US disclosed
US-11826350-B2 Proline-based neuropeptide FF receptor modulators RESEARCH TRIANGLE INSTITUTE (US) 2023-11-28 US disclosed
US-20230348462-A1 IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND THEIR USE AS ATM KINASE INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2023-11-02 US disclosed
WO-2023183405-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
EP-4045040-B1 NITROGEN CONTAINING BICYCLIC COMPOUNDS WOCKHARDT LTD (IN) 2023-04-05 EP disclosed
US-20220378759-A1 NITROGEN CONTAINING BICYCLIC COMPOUNDS WOCKHARDT LIMITED (IN) 2022-12-01 US disclosed
EP-4045040-A1 NITROGEN CONTAINING BICYCLIC COMPOUNDS Wockhardt Limited (IN) 2022-08-24 EP disclosed
WO-2021239863-A1 N-(1-CYANO-PYRROLIDIN-3-YL)-5-(3-(TRIFLUOROMETHYL)PHENYL)OXAZOLE-2-CARBOXAMIDE DERIVATIVES AND THE CORRESPONDING OXADIAZOLE DERIVATIVES AS USP30 INHIBITORS FOR THE TREATMENT OF MITOCHONDRIAL DYSFUNCTION MISSION THERAPEUTICS LIMITED (GB) 2021-12-02 WO disclosed
US-9994614-B2 N-methyl-D-aspartate receptor modulators and methods of making and using same NAUREX, INC. (US) 2018-06-12 US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 US disclosed
WO-2011059887-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059850-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 US disclosed
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-06-10 US disclosed
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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 (11 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS PEPD 3712/4885MMP2 3653/4885ANPEP 1807/4885
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 PEPD 71/4885MMP2 45/4885ANPEP 58/4885
US-20230348462-A1 IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND THEIR USE AS ATM KINASE INHIBITORS ATM, CHEK2, CHEK1 PEPD 4718/4885MMP2 4720/4885ANPEP 4478/4885
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 PEPD 3579/4885MMP2 4837/4885ANPEP 4177/4885
US-11826350-B2 Proline-based neuropeptide FF receptor modulators NPFFR1, NPFFR2, NPBWR1 PEPD 108/4885MMP2 2459/4885ANPEP 93/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF PEPD 194/4885MMP2 40/4885ANPEP 84/4885
US-20100145048-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 PEPD 254/4885MMP2 33/4885ANPEP 274/4885
US-20220378759-A1 NITROGEN CONTAINING BICYCLIC COMPOUNDS NUCB2, NRDC, NCF1 PEPD 555/4885MMP2 1559/4885ANPEP 305/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC PEPD 2/4885MMP2 295/4885ANPEP 53/4885
US-11865108-B2 Nitrogen containing bicyclic compounds NUCB2, NRDC, NCF1 PEPD 555/4885MMP2 1559/4885ANPEP 305/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 PEPD 6/4885MMP2 45/4885ANPEP 27/4885

“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.