SCHEMBL1797281

SCHEMBL1797281

COc1ccc(CCCl)cc1.[MgH2]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.59
MAOB P27338 2/20 0.53
CALM1 P0DP23 2/20 0.53
IDO1 P14902 2/20 0.52
AOC3 Q16853 2/20 0.52
SIGMAR1 Q99720 1/20 0.52
F2RL1 P55085 1/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50
TUBB6 Q9BUF5 1/20 0.50

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
SCHEMBL365644 0.98 TAAR1 (0.61) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL11711227 0.91 MAOB (0.66) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL1796734 0.84 CALM1 (0.62) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL834551 0.83 TAAR1 (0.73) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL5252007 0.83 CALM1 (0.60) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL467215 0.81 IDO1 (0.56) TAAR1CALM1IDO1SIGMAR1CA12
SCHEMBL8693900 0.81 CALM1 (0.58) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL8693901 0.81 CALM1 (0.58) TAAR1MAOBCALM1IDO1AOC3
Methylamine SCHEMBL9740790 0.81 TAAR1 (0.59) TAAR1MAOBCALM1IDO1AOC3
SCHEMBL6610916 0.81 CALM1 (0.58) TAAR1MAOBCALM1IDO1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951793-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-31 US disclosed
EP-1656368-A4 SUBSTITUTED HERTOCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2009-08-26 EP disclosed
US-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-7279485-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-09 US disclosed
EP-1656368-A2 SUBSTITUTED HERTOCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
US-20040063700-A1 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004004665-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 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-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD PYM1, GPR119, GLP1R TAAR1 2759/4885MAOB 1269/4885CALM1 3766/4885
US-20040063700-A1 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method GPR119, SLC5A2, GLP1R TAAR1 2993/4885MAOB 2233/4885CALM1 4214/4885

“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.