SCHEMBL3335731

SCHEMBL3335731

[CH2]C(Cl)Cc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.48
PNMT P11086 1/20 0.48
TAAR1 Q96RJ0 3/20 0.45
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
PKM P14618 1/20 0.41
LMNA P02545 2/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CHRM2 P08172 1/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
AOC3 Q16853 1/20 0.38
CYP3A4 P08684 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
SCHEMBL6084229 0.80 SLC6A2 (0.50) IDO1PNMTTAAR1SLC6A2SLC6A4
SCHEMBL17045232 0.80 PNMT (0.52) IDO1PNMTTAAR1SLC6A2SLC6A4
SCHEMBL17045219 0.80 PNMT (0.52) IDO1PNMTTAAR1SLC6A2SLC6A4
SCHEMBL6683031 0.77 SLC6A2 (0.52) IDO1PNMTTAAR1SLC6A2SLC6A4
SCHEMBL5654864 0.77 PNMT (0.60) IDO1PNMTTAAR1SLC6A2SLC6A4
SCHEMBL14002931 0.77 IDO1 (0.48) IDO1PNMTTAAR1SLC6A2SLC6A4
SCHEMBL11666236 0.76 IDO1 (0.46) IDO1PNMTTAAR1SLC6A2SLC6A4
SCHEMBL5275709 0.75 PPARG (0.54) IDO1PNMTPPARGPPARANPC1
SCHEMBL7951780 0.75 IDO1 (0.42) IDO1PNMTTAAR1SLC6A2SLC6A4
SCHEMBL3669308 0.74 PNMT (0.56) IDO1PNMTTAAR1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 US disclosed
US-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 US 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-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD IDO1 1114/4885PNMT 3501/4885TAAR1 2859/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD IDO1 1114/4885PNMT 3501/4885TAAR1 2859/4885

“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.