SCHEMBL1770144

SCHEMBL1770144

Cc1ccccc1-c1cnccc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
GPBAR1 Q8TDU6 5/20 0.44
CYP1A2 P05177 6/20 0.43
CYP17A1 P05093 2/20 0.43
LIMK1 P53667 1/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2D6 P10635 4/20 0.42
CYP2C19 P33261 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TACR1 P25103 2/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
DHODH Q02127 1/20 0.39
TSHR P16473 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL6638150 0.86 GPBAR1 (0.47) CYP11B1CYP11B2GPBAR1CYP1A2CYP17A1
SCHEMBL1770281 0.79 GPBAR1 (0.43) CYP11B1CYP11B2GPBAR1DHODHMAOA
SCHEMBL12811651 0.79 CYP1A2 (0.51) CYP11B1CYP11B2CYP1A2CYP17A1LIMK1
SCHEMBL3858794 0.79 PDCD1 (0.53) PDCD1CD274TSHR
SCHEMBL1769946 0.78 CYP11B2 (0.53) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL28016814 0.78 GPBAR1 (0.44) CYP11B1CYP11B2GPBAR1ALDH1A1
SCHEMBL19721401 0.75 GRM4 (0.49) GPBAR1CYP1A2LIMK1CYP3A4CYP2D6
SCHEMBL1448227 0.75
SCHEMBL20035478 0.74 LIMK1 (0.46) CYP11B1CYP11B2GPBAR1LIMK1TACR1
SCHEMBL25491201 0.74 TACR1 (0.45) CYP11B1CYP11B2GPBAR1CYP1A2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501678-B1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP claimed
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US claimed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US claimed
EP-2501678-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2012-09-26 EP claimed
WO-2011061168-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-05-26 WO claimed
EP-2993169-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2016-03-09 EP disclosed
EP-2501678-B1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US disclosed
EP-2501678-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2012-09-26 EP disclosed
WO-2011061168-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-05-26 WO disclosed
CN-1134417-C 3-phenylpyridine derivatives and their use as NK-1 receptor antagonists 2004-01-14 CN disclosed
CN-1341100-A 3-phenylpyridine derivatives and their use as nk-1 receptor antagonists HOFFMANN LA ROCHE (CH) 2002-03-20 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 (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-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B1 2/4885CYP11B2 4/4885GPBAR1 492/4885

“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.