SCHEMBL3246541

SCHEMBL3246541

[CH2]c1ccccc1Cc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
CNR2 P34972 3/20 0.39
AR P10275 1/20 0.39
CHRM2 P08172 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
P2RX7 Q99572 1/20 0.38
TYMP P19971 1/20 0.38
GPR55 Q9Y2T6 2/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.37
CYP2A13 Q16696 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 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
SCHEMBL2223002 0.85 HSPA5 (0.46) TAAR1KMT2AHSPA5
SCHEMBL29477327 0.85 TAAR1 (0.56) TAAR1ALDH1A1HPGDTSHRACHE
SCHEMBL2090458 0.85 TAAR1 (0.56) TAAR1ALDH1A1HPGDTSHRACHE
SCHEMBL11200954 0.83 TAAR1 (0.54) TAAR1ALDH1A1HPGDTSHRACHE
SCHEMBL29772212 0.83 TAAR1 (0.54) TAAR1ALDH1A1HPGDTSHRACHE
SCHEMBL27713690 0.78 TACR1 (0.35) TAAR1TSHRACHECA12CA1
SCHEMBL9509284 0.77 CYP1A2 (0.36) TAAR1TSHRKMT2ACA12CA1
SCHEMBL2250012 0.77 L3MBTL1 (0.41) ALDH1A1HPGDCNR2GPR55KMT2A
SCHEMBL4923086 0.76 TAAR1 (0.54) TAAR1ALDH1A1HPGDTSHRACHE
SCHEMBL1287474 0.76 CALM1 (0.52) HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 TAAR1 436/4885ALDH1A1 874/4885HPGD 3923/4885

“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.