SCHEMBL10193699

SCHEMBL10193699

CCN(CC)CC(CN)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ CHRM2 P08172 4/20 0.37
▸ CHRM1 P11229 4/20 0.37
▸ CHRM3 P20309 3/20 0.37
▸ CHRM4 P08173 2/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ DRD1 P21728 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
SCHEMBL11643858 0.83 SIGMAR1 (0.51) TAAR1SIGMAR1MEN1KMT2ACYP2D6
SCHEMBL8754636 0.82 TAAR1 (0.50) TAAR1MEN1KMT2ACYP2D6CYP2C19
SCHEMBL2086206 0.77 TAAR1 (0.54) TAAR1CYP2D6KCNN4
SCHEMBL4937013 0.76 TAAR1 (0.56) TAAR1ALDH1A1KCNN4
SCHEMBL9425766 0.75 TAAR1 (0.52) TAAR1KCNN4
Hydrochloric Acid SCHEMBL9426177 0.74 TAAR1 (0.50) TAAR1MEN1KMT2ACYP2D6CYP2C9
SCHEMBL2066054 0.72 TAAR1 (0.40) TAAR1MEN1KMT2ACYP2D6CYP2C19
SCHEMBL11644147 0.72 SIGMAR1 (0.44) TAAR1SIGMAR1MEN1KMT2AOPRM1
SCHEMBL11647454 0.71 SMN1; SMN2 (0.56) TAAR1CYP2D6ALDH1A1CHRM2CHRM1
SCHEMBL8754588 0.70 KCNN4 (0.48) TAAR1MEN1KMT2ACYP2D6CYP2C19

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 8 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
CN-101652363-B Thiazolyl compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2013-04-17 — — CN 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
CN-101652363-A Thiazolyl compounds as kinase inhibitor SQUIBB BRISTOL MYERS CO US 2010-02-17 — — CN 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 1703/4885SIGMAR1 3691/4885MEN1 910/4885

“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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