SCHEMBL2066054

SCHEMBL2066054

CN(CCO)CC(CN)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ OPRM1 P35372 3/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CARM1 Q86X55 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36
▸ PRMT8 Q9NR22 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ KCNN4 O15554 1/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ DRD2 P14416 1/20 0.34

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
SCHEMBL10193703 0.81 TAAR1 (0.38) TAAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8754636 0.80 TAAR1 (0.50) TAAR1KDM4ESMN1; SMN2OPRM1MEN1
SCHEMBL7460788 0.74 TAAR1 (0.46) TAAR1CHRM3KMT2AKCNN4CYP2C19
SCHEMBL11647454 0.73 SMN1; SMN2 (0.56) TAAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL2064836 0.72 TAAR1 (0.48) TAAR1CHRM2CHRM1CHRM3KMT2A
SCHEMBL10193699 0.72 TAAR1 (0.45) TAAR1KDM4ECHRM2CHRM4CHRM5
SCHEMBL4937013 0.71 TAAR1 (0.56) TAAR1SMN1; SMN2ALDH1A1KCNN4
SCHEMBL7466656 0.71 KIF11 (0.45) TAAR1KCNN4CYP2D6CYP2C19
SCHEMBL11037695 0.70 LMNA (0.54) TAAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL1692384 0.70 CHRM3 (0.42) KDM4EL3MBTL1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099794-B1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-05-15 — — EP disclosed
US-8148400-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 — — US disclosed
US-8148400-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 — — US disclosed
US-8148400-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 — — US disclosed
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-25 — — US disclosed
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-25 — — US disclosed
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-25 — — US disclosed
EP-2099794-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-09-16 — — EP disclosed
WO-2008079873-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 — — WO disclosed
WO-2008079873-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 — — 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-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS ERBB2, TEC, TTBK1 TAAR1 1703/4885KDM4E 2238/4885L3MBTL1 3208/4885

“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.

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