SCHEMBL2994341

SCHEMBL2994341

Nc1ccc(-c2cccc(Cl)c2Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.50
CYP2D6 P10635 1/20 0.44
MAOA P21397 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
SCN4A P35499 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
PDE3A Q14432 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
MAOB P27338 2/20 0.44
CYP2A6 P11509 1/20 0.43
NUDT1 P36639 3/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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
Methane SCHEMBL29157416 0.98 CNR2 (0.49) CNR2CYP2D6MAOAMAPK1ADRA1A
SCHEMBL27527585 0.83 ALDH1A1 (0.43) CNR2MAOBCYP3A4TDP1ALDH1A1
SCHEMBL1337085 0.82 CYP2A6 (0.65) SCN9AMAOBCYP2A6CYP3A4TDP1
SCHEMBL4453342 0.82 CNR2 (0.53) CNR2CYP2A6ALDH1A1TP53CNR1
SCHEMBL7143579 0.80 CYP2A6 (0.62) SCN9AMAOBCYP2A6CYP3A4TDP1
SCHEMBL29489437 0.79 CYP2A6 (0.68) CNR2MAPK1CYP2A6ALDH1A1HSD17B10
SCHEMBL14055104 0.79 CYP3A4 (0.48) CYP2A6CYP3A4TDP1ALDH1A1TP53
SCHEMBL1250242 0.79 CYP2A6 (0.68) CNR2MAPK1CYP2A6ALDH1A1HSD17B10
SCHEMBL8307816 0.79 MAP4K4 (0.50) CNR2CYP2D6MAOAMAPK1ADRA1A
SCHEMBL8308105 0.78 CNR2 (0.50) CNR2CYP2D6MAOAMAPK1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714661-B1 PICOLINAMIDO - PROPANOIC ACID DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-09-30 EP disclosed
US-8748624-B2 Picolinamido-propanoic acid derivatives useful as glucagon receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-10 US disclosed
CN-103613527-A N, N-substituted 3-aminopyrrolidine compounds useful as monoamine reuptake inhibitors OTSUKA PHARMA CO LTD 2014-03-05 CN disclosed
CN-103613587-A N, N-substituted 3-aminopyrrolidine compounds useful as monoamine reuptake inhibitors OTSUKA PHARMA CO LTD 2014-03-05 CN disclosed
WO-2012162407-A1 PICOLINAMIDO - PROPANOIC ACID DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 WO disclosed
US-20120302610-A1 PICOLINAMIDO-PROPANOIC ACID DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
US-20100185015-A1 Process for preparing biaryls BAYER CROPSCIENCE AG (DE) 2010-07-22 US disclosed
CN-101175748-A N, N-substituted 3-aminopyrrolidine compounds useful as monoamine reuptake inhibitors OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN 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-20100185015-A1 Process for preparing biaryls AGPS, PAPSS1, BRPF1 CNR2 2592/4885CYP2D6 385/4885MAOA 855/4885
US-20120302610-A1 PICOLINAMIDO-PROPANOIC ACID DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS GLP1R, GIPR, GCGR CNR2 306/4885CYP2D6 2258/4885MAOA 3341/4885

“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.