SCHEMBL599782

SCHEMBL599782

CC(=O)N[C@@H]1CCOc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.49
▸ BRD4 O60885 2/20 0.48
▸ CREBBP Q92793 2/20 0.48
▸ MAPK1 P28482 7/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ XIAP P98170 1/20 0.45
▸ SSTR4 P31391 1/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ DRD3 P35462 1/20 0.43

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
SCHEMBL14452760 1.00 TRPV1 (0.49) TRPV1BRD4CREBBPMAPK1CNR1
SCHEMBL803487 1.00 TRPV1 (0.49) TRPV1BRD4CREBBPMAPK1CNR1
SCHEMBL14277888 1.00 TRPV1 (0.49) TRPV1BRD4CREBBPMAPK1CNR1
SCHEMBL4226632 0.87 TRPV1 (0.54) TRPV1BRD4CREBBPMAPK1CNR1
SCHEMBL4226634 0.87 TRPV1 (0.54) TRPV1BRD4CREBBPMAPK1CNR1
SCHEMBL26962614 0.85 TRPV1 (0.50) TRPV1BRD4CREBBPMAPK1CNR1
SCHEMBL27125516 0.85 TRPV1 (0.50) TRPV1BRD4CREBBPMAPK1CNR1
SCHEMBL20622055 0.84 TRPV1 (0.49) TRPV1BRD4CREBBPMAPK1CNR1
SCHEMBL31316828 0.84 TRPV1 (0.49) TRPV1BRD4CREBBPMAPK1CNR1
SCHEMBL21376365 0.83 XIAP (0.53) TRPV1BRD4CREBBPMAPK1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 — — EP disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 — — WO disclosed
EP-1592674-B1 AMINO 1, 3, 5-TRIAZINES N-SUBSTITUTED WITH CHIRAL BICYCLIC RADICALS, PROCESS FOR THEIR PREPARATION, COMPOSITIONS THEREOF AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2014-03-05 — — EP disclosed
US-20120101287-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2012-04-26 — — US disclosed
US-8114991-B2 Used for the control of a range of harmful weeds BAYER CROPSCIENCE AG (DE) 2012-02-14 — — US disclosed
EP-2305655-A2 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators. Bayer CropScience AG (DE) 2011-04-06 — — EP disclosed
US-7592488-B2 Method for preparing optically active amines POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2009-09-22 — — US disclosed
US-7592488-B2 Method for preparing optically active amines POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2009-09-22 — — US disclosed
US-20090035830-A1 Method for Preparing Optically Active Amines POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2009-02-05 — — US disclosed
US-20090035830-A1 Method for Preparing Optically Active Amines POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2009-02-05 — — US disclosed
EP-1592674-A1 AMINO 1, 3, 5-TRIAZINES N-SUBSTITUTED WITH CHIRAL BICYCLIC RADICALS, PROCESS FOR THEIR PREPARATION, COMPOSITIONS THEREOF AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience GmbH (DE) 2005-11-09 — — EP disclosed
WO-2004069814-A1 AMINO 1, 3, 5-TRIAZINES N-SUBSTITUTED WITH CHIRAL BICYCLIC RADICALS, PROCESS FOR THEIR PREPARATION, COMPOSITIONS THEREOF AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE GMBH (DE) 2004-08-19 — — WO disclosed
US-20040157739-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2004-08-12 — — US 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 (4 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-20040157739-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators CYP4Z1, IL4I1, BCAT1 TRPV1 4557/4885BRD4 835/4885CREBBP 3299/4885
US-20120101287-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators IL4I1, DAO, CYP4Z1 TRPV1 4298/4885BRD4 1439/4885CREBBP 3727/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 TRPV1 1398/4885BRD4 18/4885CREBBP 2/4885
US-20090035830-A1 Method for Preparing Optically Active Amines CEL, NAAA, LIPA TRPV1 3880/4885BRD4 2240/4885CREBBP 2108/4885

“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.

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