SCHEMBL6624646

SCHEMBL6624646

CCCOCc1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
AGXT P21549 2/20 0.56
MAOB P27338 9/20 0.53
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
TAAR1 Q96RJ0 3/20 0.44
MAOA P21397 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
CHRM3 P20309 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
SCHEMBL9347048 0.88 IDO1 (0.64) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL1310466 0.86 TSHR (0.42) IDO1AGXT
SCHEMBL8132483 0.85 IDO1 (0.60) IDO1AGXTMAOBCYP1A2CYP2D6
SCHEMBL30487709 0.85 IDO1 (0.60) IDO1AGXTMAOBCYP1A2CYP2D6
SCHEMBL1767187 0.84 IDO1 (0.69) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL27037812 0.84 IDO1 (0.55) IDO1AGXTMAOBCYP1A2CYP2D6
SCHEMBL613278 0.81 IDO1 (0.56) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL3456515 0.81 IDO1 (0.56) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL30449898 0.81 IDO1 (0.51) IDO1AGXTMAOBTAAR1MAOA
SCHEMBL30932467 0.80 IDO1 (0.48) IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979824-B1 Process for the preparation of substituted piperidine-epoxides HOFFMANN LA ROCHE (CH) 2004-10-06 EP claimed
WO-2000063173-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PIPERIDINES F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 WO claimed
EP-0979824-A1 Process for the preparation of substituted piperidine-epoxides F. HOFFMANN-LA ROCHE AG (CH) 2000-02-16 EP claimed
US-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 US disclosed
US-9056849-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-06-16 US disclosed
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-10-30 US disclosed
US-8716529-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-05-06 US disclosed
US-8450527-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-05-28 US disclosed
US-8450527-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-05-28 US disclosed
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
EP-0979824-B1 Process for the preparation of substituted piperidine-epoxides HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
US-6268499-B1 USEFUL AS RENIN INHIBITORS HOFFMAN-LA ROCHE INC. 2001-07-31 US disclosed
EP-1083919-A1 NOVEL ANTIVIRAL COMPOUNDS Advanced Medicine, Inc. (US) 2001-03-21 EP disclosed
WO-2000063173-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PIPERIDINES F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 WO disclosed
WO-1999064047-A9 NOVEL ANTIVIRAL COMPOUNDS ADVANCED MEDICINE INC (US) 2000-03-16 WO disclosed
EP-0979824-A1 Process for the preparation of substituted piperidine-epoxides F. HOFFMANN-LA ROCHE AG (CH) 2000-02-16 EP disclosed
WO-1999064047-A1 NOVEL ANTIVIRAL COMPOUNDS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 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 (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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT IDO1 505/4885AGXT 1594/4885MAOB 15/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT IDO1 505/4885AGXT 1594/4885MAOB 15/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT IDO1 505/4885AGXT 1594/4885MAOB 15/4885

“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.