SCHEMBL3322159

SCHEMBL3322159

CC(C)(C)OC(=O)N1CCC(CN)(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 14/20 0.53
SLC6A4 P31645 12/20 0.53
SLC6A2 P23975 3/20 0.53
CCR5 P51681 4/20 0.52
TACR1 P25103 1/20 0.48
AKT1 P31749 1/20 0.47

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
SCHEMBL13400265 0.89 CCR5 (0.53) SLC6A4SLC6A2CCR5TACR1
SCHEMBL13484599 0.88 CCR5 (0.52) SLC6A3SLC6A4SLC6A2CCR5TACR1
SCHEMBL1003431 0.87 MEN1 (0.52) SLC6A3SLC6A4CCR5TACR1
SCHEMBL13543969 0.84 CCR5 (0.53) CCR5TACR1
SCHEMBL7462568 0.84 CCR5 (0.56) SLC6A3SLC6A4SLC6A2CCR5TACR1
SCHEMBL7462578 0.84 CCR5 (0.56) SLC6A3SLC6A4SLC6A2CCR5TACR1
SCHEMBL13543970 0.84 CCR5 (0.53) CCR5TACR1
SCHEMBL14415546 0.83 CCR5 (0.51) CCR5TACR1
SCHEMBL10306288 0.83 GPR119 (0.49) CCR5TACR1
SCHEMBL654359 0.83 CCR5 (0.47) CCR5TACR1

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-8343999-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-8343999-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-8343999-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-13 US disclosed
US-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-13 US disclosed
US-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-13 US disclosed
EP-2132203-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-12-16 EP disclosed
EP-1549615-B1 NAPHTHAMIDE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
WO-2008124757-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-16 WO disclosed
WO-2008124757-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-16 WO disclosed
US-20060241142-A1 Naphthamide derivatives and their use ALEATEL WIRELESS, INC. 2006-10-26 US disclosed
EP-1549615-A1 NAPHTHAMIDE DERIVATIVES AND THEIR USE AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004020411-A1 NAPHTHAMIDE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2004-03-11 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 (2 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-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS TTBK1, ERBB2, TEC SLC6A3 1180/4885SLC6A4 2216/4885SLC6A2 2722/4885
US-20060241142-A1 Naphthamide derivatives and their use NPM1, H1-4, H1-3 SLC6A3 2056/4885SLC6A4 1749/4885SLC6A2 900/4885

“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.