SCHEMBL3243401

SCHEMBL3243401

[CH2]c1ccccc1Cc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.48
PNMT P11086 1/20 0.48
TAAR1 Q96RJ0 3/20 0.45
PKM P14618 1/20 0.45
DAO P14920 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CHRM2 P08172 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
AR P10275 1/20 0.39
MGLL Q99685 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
AOC3 Q16853 1/20 0.38

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
SCHEMBL29519238 0.85 IDO1 (0.62) IDO1PNMTTAAR1PKMDAO
SCHEMBL672407 0.85 IDO1 (0.62) IDO1PNMTTAAR1PKMDAO
SCHEMBL2223002 0.85 HSPA5 (0.46) IDO1PNMTTAAR1PKM
SCHEMBL8855249 0.84 IDO1 (0.42) IDO1PNMTTAAR1PKMDAO
SCHEMBL6337201 0.74 PNMT (0.60) IDO1PNMTTAAR1PKMDAO
SCHEMBL3245734 0.73 TAAR1 (0.46) IDO1TAAR1DAONPC1RAB9A
SCHEMBL3246541 0.73 TAAR1 (0.45) TAAR1CHRM2TSHRAR
SCHEMBL11195639 0.73 TAAR1 (0.50) IDO1PNMTTAAR1
SCHEMBL11300407 0.73 TAAR1 (0.50) IDO1PNMTTAAR1DAONPC1
SCHEMBL11776386 0.73 TSHR (0.54) IDO1PNMTTAAR1PKMTSHR

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 IDO1 527/4885PNMT 880/4885TAAR1 436/4885

“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.