SCHEMBL137697

SCHEMBL137697

COc1ccc(CC#N)cc1-c1ccc(C)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ERN1 O75460 4/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PIK3CG P48736 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ACHE P22303 1/20 0.35
TUBB1 Q9H4B7 1/20 0.34
NPC1 O15118 1/20 0.34
THRB P10828 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL154338 0.83 PTGDR2 (0.43) CYP3A4CYP2C9
SCHEMBL137398 0.80 GAA (0.51) ALDH1A1
SCHEMBL7593948 0.80 TUBB1 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL134607 0.79 ABL1 (0.47) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL138051 0.77 HTR7 (0.44) HTR7LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL136891 0.77 ABL1 (0.46) ALDH1A1LMNAL3MBTL1ERN1ESR1
3-Methoxyphenylacetonitrile SCHEMBL23201797 0.74 TUBB1 (0.48) ALDH1A1LMNASMN1; SMN2ERN1TUBB1
SCHEMBL419596 0.71 ALDH1A1 (0.57) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL29689736 0.70 CRHBP (0.46) HTR7ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL1438454 0.70 CRHBP (0.46) HTR7ALDH1A1MAPTSMN1; SMN2HPGD

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
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 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 (3 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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HTR7 259/4885ALDH1A1 2005/4885LMNA 1875/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HTR7 259/4885ALDH1A1 2005/4885LMNA 1875/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 HTR7 259/4885ALDH1A1 2005/4885LMNA 1875/4885

“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.