SCHEMBL13858719

SCHEMBL13858719

CC(C)(C)OC(=O)N1CC(C(=O)O)C(c2cccc(Cl)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.57
TACR1 P25103 3/20 0.50
RORC P51449 1/20 0.49
STS P08842 2/20 0.45
TP53 P04637 4/20 0.45
MAPT P10636 1/20 0.45
MC4R P32245 1/20 0.44
MDM2 Q00987 3/20 0.41

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
SCHEMBL16780015 1.00 PDE4B (0.57) PDE4BTACR1RORCSTSTP53
SCHEMBL16780016 1.00 PDE4B (0.57) PDE4BTACR1RORCSTSTP53
SCHEMBL20283113 0.88 PDE4B (0.53) PDE4BTACR1RORCSTSTP53
SCHEMBL20283114 0.88 PDE4B (0.53) PDE4BTACR1RORCSTSTP53
SCHEMBL23021431 0.86 RORC (0.62) PDE4BTACR1RORC
SCHEMBL2738527 0.86 RORC (0.62) PDE4BTACR1RORC
SCHEMBL1254775 0.86 RORC (0.62) PDE4BTACR1RORC
SCHEMBL1751741 0.86 RORC (0.62) PDE4BTACR1RORC
SCHEMBL679863 0.86 RORC (0.62) PDE4BTACR1RORC
SCHEMBL1751697 0.86 RORC (0.62) PDE4BTACR1RORC

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954215-B2 Compounds as modulators of ROR gamma BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-23 US disclosed
CN-108329246-B Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as TRKA kinase inhibitors 阵列生物制药公司 2021-02-26 CN disclosed
EP-3555065-B1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INT (DE) 2021-02-24 EP disclosed
US-20200071298-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-05 US disclosed
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-06-18 US disclosed
US-20180334450-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-11-22 US disclosed
WO-2018111803-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-21 WO disclosed
US-9878997-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-01-30 US disclosed
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-08-03 US disclosed
US-9562055-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-02-07 US disclosed
EP-2712358-B1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2016-12-21 EP disclosed
US-20150166564-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS Array BioPharama Inc. (US) 2015-06-18 US disclosed
WO-2012158413-A2 PYRROLIDINYL UREA AND PYRROLIDINYL THIOUREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-22 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 (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-10954215-B2 Compounds as modulators of ROR gamma RORB, RORC, RORA PDE4B 655/4885TACR1 610/4885RORC 2/4885
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors RET, TK1, DSTYK PDE4B 1032/4885TACR1 677/4885RORC 1524/4885
US-20150166564-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK PDE4B 1032/4885TACR1 677/4885RORC 1524/4885
US-20200071298-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORC, RORB, RORA PDE4B 1010/4885TACR1 928/4885RORC 1/4885
US-20180334450-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK PDE4B 1032/4885TACR1 677/4885RORC 1524/4885
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK PDE4B 1032/4885TACR1 677/4885RORC 1524/4885

“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.