SCHEMBL8028903

SCHEMBL8028903

CN1Cc2ccccc2CC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
OPRM1 P35372 2/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
DRD3 P35462 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
NOTUM Q6P988 1/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
DAB2IP Q5VWQ8 1/20 0.37

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
SCHEMBL29516144 1.00 MAOA (0.43) MAOAMAOBOPRM1HTR1ADRD2
SCHEMBL21726113 0.79 MAOA (0.41) MAOAMAOBOPRM1HTR1ADRD2
SCHEMBL6650511 0.75 HTR1A (0.39) MAOAMAOBOPRM1HTR1ADRD2
SCHEMBL6650509 0.75 HTR1A (0.39) MAOAMAOBOPRM1HTR1ADRD2
SCHEMBL26304560 0.75 ALDH1A1 (0.37) OPRM1ALDH1A1SMN1; SMN2TSHRKMT2A
SCHEMBL26956225 0.75 BRD4 (0.42) SMN1; SMN2KMT2ABRD4
SCHEMBL26956222 0.75 BRD4 (0.42) SMN1; SMN2KMT2ABRD4
SCHEMBL7656239 0.75 NR1H2 (0.35) OPRM1ALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL29515878 0.74 ABHD6 (0.36) ALDH1A1KMT2AHSD17B10HPGD
SCHEMBL26956223 0.74 ABHD6 (0.36) ALDH1A1KMT2AHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME LLC (US) 2023-12-14 US disclosed
US-20230350294-A1 Negative Photosensitive Resin Composition, Patterning Process, Interlayer Insulating Film, Surface Protection Film, And Electronic Component SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-02 US disclosed
US-20230350294-A1 Negative Photosensitive Resin Composition, Patterning Process, Interlayer Insulating Film, Surface Protection Film, And Electronic Component SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-02 US disclosed
US-11768434-B2 Polymer having a structure of polyamide, polyamide-imide, or polyimide, photosensitive resin composition, patterning process, photosensitive dry film, and protective film for electric and electronic parts SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-26 US disclosed
EP-4240363-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 Merck Sharp & Dohme LLC (US) 2023-09-13 EP disclosed
WO-2023281417-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALTY S.A. (CH) 2023-01-12 WO disclosed
WO-2022098806-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 MERCK SHARP & DOHME CORP. (US) 2022-05-12 WO disclosed
CN-108495846-A Use, composition and implementation method of substituted dihydroisoquinolinium salt for treating keratin materials 欧莱雅 2018-09-04 CN disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 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 (2 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-20110195954-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA MAOA 700/4885MAOB 702/4885OPRM1 30/4885
US-20230399341-A1 7-PHENYL SUBSTITUTED 2-AMINOQUINAZOLINE INHIBITORS OF HPK1 PHKG1, PDXK, HIPK1 MAOA 3869/4885MAOB 3593/4885OPRM1 4751/4885

“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.