SCHEMBL3324976

SCHEMBL3324976

CN1CCC(CN)(c2ccccc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.46
TACR1 P25103 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC6A3 Q01959 2/20 0.45
GAA P10253 1/20 0.42
RAD52 P43351 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A2 P23975 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
OPRM1 P35372 3/20 0.38
DRD4 P21917 1/20 0.38
NR1D1 P20393 1/20 0.37
NR1D2 Q14995 1/20 0.37
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
ESR1 P03372 1/20 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
SCHEMBL24018816 0.84 SLC6A3 (0.54) SLC6A4SLC6A3HTR2ASLC6A2MAOA
SCHEMBL3325911 0.83 OPRM1 (0.47) SLC6A4TACR1KCNH2SLC6A3HTR2A
SCHEMBL4013884 0.81 SLC6A3 (0.60) SLC6A4SLC6A3HTR2ASLC6A2MAOA
SCHEMBL8265939 0.80 POLB (0.42) SLC6A4TACR1KCNH2SLC6A3GAA
SCHEMBL8266290 0.77 ALDH1A1 (0.40) SLC6A4TACR1KCNH2SLC6A3GAA
SCHEMBL16292042 0.77 SLC6A3 (0.47) SLC6A4SLC6A3HTR2ASLC6A2MAOA
SCHEMBL6926820 0.76 OPRD1 (0.44) SLC6A4TACR1KCNH2OPRM1DRD4
SCHEMBL468959 0.76 MAOA (0.68) SLC6A4TACR1KCNH2SLC6A3GAA
SCHEMBL3325729 0.75 TACR1 (0.48) TACR1OPRD1OPRK1
SCHEMBL27796299 0.75 OPRL1 (0.41) SLC6A4TACR1KCNH2SLC6A3HTR2A

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 9 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SLC6A4 2216/4885TACR1 1769/4885KCNH2 2990/4885

“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.