SCHEMBL688899

SCHEMBL688899

Cc1cc(C)c2c(c1)CC(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 5/20 0.42
CACNG8 Q8WXS5 5/20 0.42
CACNG2 Q9Y698 1/20 0.42
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
AHR P35869 5/20 0.39
PKM P14618 1/20 0.38
PDK2 Q15119 1/20 0.35
CMA1 P23946 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL434019 0.82 KMT2A (0.40) KMT2ACA12CA1CA2CA4
SCHEMBL7649298 0.81 ALDH1A1 (0.47) GRIA1CACNG8CACNG2KMT2AAHR
SCHEMBL5363780 0.81 TDP2 (0.46) GRIA1CACNG8CACNG2KMT2AAHR
SCHEMBL20106766 0.81 TDP2 (0.46) GRIA1CACNG8CACNG2AHRPKM
SCHEMBL12157511 0.81 GRIA1 (0.41) GRIA1CACNG8CACNG2CA9AHR
SCHEMBL6411297 0.81 AHR (0.53) GRIA1CACNG8CACNG2AHRPDK2
SCHEMBL5498437 0.81 GRIA1 (0.41) GRIA1CACNG8CACNG2AHRPDK2
SCHEMBL5357730 0.81 GRIA1 (0.49) GRIA1CACNG8CACNG2AHRCMA1
SCHEMBL18208031 0.81 GRIA1 (0.43) GRIA1CACNG8CACNG2KMT2AAHR
SCHEMBL20085465 0.79 GRIA1 (0.42) GRIA1CACNG8CACNG2AHRPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 EP disclosed
EP-3532477-B1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-26 EP disclosed
EP-3532476-B1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-19 EP disclosed
WO-2018138362-A1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXA ZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2018-08-02 WO disclosed
WO-2018080916-A1 FUSED AZAHETEROCYCLIC COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed
WO-2018080918-A1 3-ARYL-2H-PYRAZOLO[4,3-B]PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed
WO-2018080917-A1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 WO disclosed
EP-2205590-B1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-06-04 EP disclosed
CN-102702068-B 3-pyrrolo-cyclohexylidene-2-dihydroindolone derivative, and application of 3-pyrrolo-cyclohexylidene-2-dihydroindolone derivative NANJING YOKO BIOLOG PHARMACEUTICAL RES CO LTD 2014-05-14 CN disclosed
US-8629137-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20130029975-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
CN-102702068-A 3-pyrrolo-cyclohexylidene-2-dihydroindolone derivative, and application of 3-pyrrolo-cyclohexylidene-2-dihydroindolone derivative JIANGSU SIMCERE PHARM RES CO 2012-10-03 CN disclosed
CN-101389624-B 3-pyrrolocyclohexylidene-2-indolinone derivative and application thereof JIANGSU SIMCERE PHARM RES CO 2012-10-03 CN disclosed
EP-2123649-B1 3-PYRROLO-CYCLOHEXYLENE-2-DIHYDRO-INDOLINONE DERIVATIVES AND USES THEREOF JIANGSU SIMCERE PHARMACEUTICAL R & D CO LTD (CN) 2012-02-29 EP disclosed
US-8084621-B2 3-Pyrrolo[b]cyclohexylene-2-dihydroindolinone derivatives and uses thereof Jiangsu Simcere Pharmaceutical R&D Co. Ltd. (CN) 2011-12-27 US disclosed
EP-2386558-A1 CGRP antagonists Boehringer Ingelheim International GmbH (DE) 2011-11-16 EP disclosed
US-20110059954-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20100160318-A1 3-Pyrrolo[b]Cyclohexylene-2-Dihydroindolinone Derivatives and Uses Thereof JIANGSU SIMCERE PHARMACEUTICAL R&D CO., LTD. (CN) 2010-06-24 US disclosed
EP-2123649-A1 3-PYRROLO-CYCLOHEXYLENE-2-DIHYDRO-INDOLINONE DERIVATIVES AND USES THEREOF Jiangsu Simcere Pharmaceutical R&D Co., Ltd. (CN) 2009-11-25 EP disclosed
CN-101389624-A 3-pyrrolocyclohexylidene-2-indolinone derivative and application thereof JIANGSU SIMCERE PHARMACEUTICAL (CN) 2009-03-18 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 (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-20110059954-A1 CGRP ANTAGONISTS CALCRL, CALCR, CALCA GRIA1 318/4885CACNG8 682/4885CACNG2 746/4885
US-20100160318-A1 3-Pyrrolo[b]Cyclohexylene-2-Dihydroindolinone Derivatives and Uses Thereof PTK2B, DMPK, STK25 GRIA1 3840/4885CACNG8 2933/4885CACNG2 3396/4885
US-20130029975-A1 CGRP ANTAGONISTS CALCRL, CALCR, CALCA GRIA1 318/4885CACNG8 682/4885CACNG2 746/4885

“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.