SCHEMBL2808674

SCHEMBL2808674

COCCCc1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.53
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
MAOB P27338 2/20 0.46
SIGMAR1 Q99720 2/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2807171 0.95 TAAR1 (0.52) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL2808421 0.89 TAAR1 (0.57) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL30739138 0.89 TAAR1 (0.57) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL28463866 0.85 TAAR1 (0.57) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL5240585 0.82 TAAR1 (0.68) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL2809212 0.81 CHRM2 (0.39) TAAR1IDO1KDM4ECYP1A2CYP2D6
SCHEMBL19524669 0.80 TAAR1 (0.65) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL5371378 0.80 TAAR1 (0.47) TAAR1IDO1AGXTMAOBSIGMAR1
SCHEMBL21089609 0.80 TAAR1 (0.60) TAAR1IDO1AGXTMAOBKDM4E
SCHEMBL2197436 0.79 TAAR1 (0.55) TAAR1IDO1AGXTMAOBSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9464033-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-10-11 US disclosed
US-9464033-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-10-11 US disclosed
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-11-19 US disclosed
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-11-19 US disclosed
US-8362040-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2013-01-29 US disclosed
WO-2010142985-A1 SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL]PIPERIDIN-2-YLCARBOXMIDE COMPOUNDS 761 ASTRAZENECA AB (SE) 2010-12-16 WO disclosed
WO-2010128324-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 WO disclosed
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2010-09-23 US disclosed
US-7754727-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2010-07-13 US disclosed
EP-1689712-B1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
US-20090012139-A1 AMINO-5-[4-(DIFLUOROMETHOXY) PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-01-08 US disclosed
US-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2008-10-30 US disclosed
US-7423158-B2 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of β-secretase WYETH (US) 2008-09-09 US disclosed
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors SEDRANI RICHARD 2007-04-05 US disclosed
US-20070072925-A1 Amino-5-[4-(difluoromehtoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase WYETH (US) 2007-03-29 US disclosed
EP-1689712-A1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051911-A1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2005-06-09 WO 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 (6 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-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE TAAR1 1257/4885IDO1 3473/4885AGXT 316/4885
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE TAAR1 1517/4885IDO1 3596/4885AGXT 327/4885
US-20090012139-A1 AMINO-5-[4-(DIFLUOROMETHOXY) PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE BACE1, BACE2, APP TAAR1 3445/4885IDO1 4153/4885AGXT 2158/4885
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C TAAR1 4217/4885IDO1 3704/4885AGXT 1504/4885
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors REN, AGTR1, ACE TAAR1 1517/4885IDO1 3596/4885AGXT 327/4885
US-20070072925-A1 Amino-5-[4-(difluoromehtoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase BACE1, BACE2, APP TAAR1 3456/4885IDO1 4396/4885AGXT 2088/4885

“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.