SCHEMBL2998787

SCHEMBL2998787

CCCCCc1cccc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C19 P33261 2/20 0.60
TAAR1 Q96RJ0 3/20 0.57
LPL P06858 3/20 0.56
LIPG Q9Y5X9 3/20 0.56
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL2442972 0.98 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19TAAR1LPL
SCHEMBL9802185 0.98 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19TAAR1LPL
SCHEMBL28656641 0.98 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19TAAR1LPL
SCHEMBL19304390 0.98 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19TAAR1LPL
SCHEMBL1577575 0.98 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19TAAR1LPL
SCHEMBL5599017 0.98 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19TAAR1LPL
Nitrogen SCHEMBL23668052 0.94 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19TAAR1LPL
SCHEMBL417687 0.94 TAAR1 (0.59) CYP1A2CYP2D6CYP2C19TAAR1LPL
Formaldehyde SCHEMBL28131136 0.89 TAAR1 (0.53) CYP1A2CYP2D6CYP2C19TAAR1LPL
SCHEMBL27390155 0.88 LPL (0.51) CYP1A2CYP2D6CYP2C19TAAR1LPL

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3699167-A1 PROCESS FOR PREPARING METHYL 1-BENZOSUBERONE-7-CARBOXYLATE Sanofi (FR) 2020-08-26 EP disclosed
CN-104650080-B Quinacridone type compounds that N, N pentane replaces and preparation method and application 中国科学院化学研究所 2017-04-05 CN 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-9115056-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-08-25 US disclosed
CN-104650080-A N, N-dipentane substituted quinacridone compound as well as preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-05-27 CN disclosed
US-20150045444-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-02-12 US disclosed
US-8895782-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-11-25 US disclosed
US-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-07-31 US disclosed
US-8766007-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC (US) 2014-07-01 US disclosed
US-7517896-B2 Aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2009-04-14 US disclosed
US-20090048320-A1 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-02-19 US 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-7423158-B2 Amino-5-[4-(difluoromethoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of β-secretase WYETH (US) 2008-09-09 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP 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
US-7087644-B1 Derivatives of dicarboxylic acid having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-08-08 US disclosed
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2006-05-04 US disclosed
CN-1674897-A Phenylalkanoic acid and phenyloxyalkanoic acid derivatives as HPPAR activators SMITHKLINE BEECHAM CORP (US) 2005-09-28 CN disclosed
CN-1184478-A Thiazole derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 1998-06-10 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 (7 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-20090048320-A1 AMINO-5-[4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE BACE1, BACE2, APP CYP1A2 4528/4885CYP2D6 4761/4885CYP2C19 4653/4885
US-20150045444-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C CYP1A2 3683/4885CYP2D6 3791/4885CYP2C19 3668/4885
US-20060094769-A1 Novel aminodicarboxylic acid derivatives having pharmaceutical properties DDC, AADAT, PTGIS CYP1A2 680/4885CYP2D6 355/4885CYP2C19 275/4885
US-20090012139-A1 AMINO-5-[4-(DIFLUOROMETHOXY) PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS FOR THE INHIBITION OF BETA-SECRETASE BACE1, BACE2, APP CYP1A2 4070/4885CYP2D6 4643/4885CYP2C19 4449/4885
US-20150329473-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C CYP1A2 3683/4885CYP2D6 3791/4885CYP2C19 3668/4885
US-20070072925-A1 Amino-5-[4-(difluoromehtoxy)phenyl]-5-phenylimidazolone compounds for the inhibition of beta-secretase BACE1, BACE2, APP CYP1A2 4206/4885CYP2D6 4715/4885CYP2C19 4561/4885
US-20140213617-A1 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, STARD3, PDE6C CYP1A2 3683/4885CYP2D6 3791/4885CYP2C19 3668/4885

“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.