SCHEMBL9608917

SCHEMBL9608917

CCc1cnn(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.55
DRD2 P14416 8/20 0.55
DRD3 P35462 8/20 0.55
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 2/20 0.53
RAB9A P51151 4/20 0.49
POLB P06746 1/20 0.49
NR4A1 P22736 1/20 0.49

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
SCHEMBL15779863 0.85 DRD4 (0.53) DRD4DRD2DRD3MAPTSMN1; SMN2
SCHEMBL16062853 0.83 RXRA (0.47) DRD4DRD2DRD3MAPTSMN1; SMN2
SCHEMBL10235445 0.83 MELK (0.42) DRD4DRD2DRD3MAPTSMN1; SMN2
SCHEMBL12369718 0.82 CYP2A6 (0.49) DRD4DRD2DRD3MAPTSMN1; SMN2
SCHEMBL9048864 0.81 DRD4 (0.52) DRD4DRD2DRD3MAPTKDM4E
SCHEMBL1754914 0.81 DRD2 (0.52) DRD4DRD2DRD3MAPTSMN1; SMN2
SCHEMBL12235674 0.81 GRM4 (0.49) DRD4DRD2DRD3MAPTSMN1; SMN2
SCHEMBL6852145 0.81 DRD4 (0.55) DRD4DRD2DRD3MAPTSMN1; SMN2
SCHEMBL2412911 0.81 GAA (0.58) DRD4DRD2DRD3MAPTSMN1; SMN2
SCHEMBL2408942 0.81 DRD4 (0.55) DRD4DRD2DRD3MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154314-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
EP-3452464-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
WO-2020252229-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
US-10588900-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-03-17 US disclosed
US-10568876-B2 Tetrahydroisoquinoline derivatives useful as inhibitors of diacylglyceride O-acyltransferase 2 MERCK SHARP & DOHME CORP. (US) 2020-02-25 US disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-20190046520-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2019-02-14 US disclosed
WO-2018075842-A1 CONDENSED BENZODIAZEPINE DERIVATIVES AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-26 WO disclosed
WO-2017191098-A1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-11-09 WO disclosed
US-20170273965-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2017-09-28 US disclosed
EP-1921077-B1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-26 EP disclosed
EP-3002283-B1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO LTD (JP) 2017-06-14 EP disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed
US-8835470-B2 Mandelamide heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 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 (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-20170273965-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 DGAT2, DGAT1, MOGAT2 DRD4 3013/4885DRD2 2017/4885DRD3 2710/4885
US-10568876-B2 Tetrahydroisoquinoline derivatives useful as inhibitors of diacylglyceride O-acyltransferase 2 DGAT2, DGAT1, MOGAT2 DRD4 3013/4885DRD2 2017/4885DRD3 2710/4885
US-20190046520-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX DRD4 4722/4885DRD2 3844/4885DRD3 4400/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 DRD4 4845/4885DRD2 4787/4885DRD3 4717/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH DRD4 2853/4885DRD2 1064/4885DRD3 2078/4885
US-10588900-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX DRD4 4722/4885DRD2 3844/4885DRD3 4400/4885

“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.