SCHEMBL7420138

SCHEMBL7420138

CC1CNc2ccc(Br)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.45
ADRA2A P08913 4/20 0.45
ADRA2B P18089 3/20 0.45
ADRA2C P18825 3/20 0.45
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
BRD4 O60885 1/20 0.39
KDM1A O60341 2/20 0.37
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL7420139 1.00 PNMT (0.45) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL17785810 0.86 PNMT (0.49) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL22397460 0.82 PNMT (0.38) PNMTADRA2AADRA2BADRA2CBRD4
SCHEMBL10262493 0.80 TRPM5 (0.37) HTR2AHTR2CHTR2BBRD4
SCHEMBL7245975 0.79 KDM1A (0.40) PNMTADRA2AADRA2BADRA2CBRD4
SCHEMBL17785800 0.78 PNMT (0.46) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL21172833 0.76 SLC6A2 (0.38) HTR2AHTR2CHTR2BBRD4
SCHEMBL7419580 0.76 HTR2C (0.48) HTR2AHTR2CHTR2B
SCHEMBL20870386 0.76 SLC6A2 (0.38) HTR2AHTR2CHTR2BBRD4
SCHEMBL21241465 0.76 EPHX2 (0.39) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3511323-B1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-03-02 EP disclosed
US-20210403469-A1 NOVEL SUBSTITUTED TRICYCLIC COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-30 US disclosed
EP-3511323-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GlaxoSmithKline Intellectual Property (No.2) Limited (GB) 2019-07-17 EP disclosed
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 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 (1 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-20210403469-A1 NOVEL SUBSTITUTED TRICYCLIC COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, TPH1 PNMT 271/4885ADRA2A 2345/4885ADRA2B 2570/4885

“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.