SCHEMBL980093

SCHEMBL980093

Nc1ccc(C2CNCc3ccccc32)cc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.75
CYP3A4 P08684 1/20 0.75
CYP2D6 P10635 1/20 0.75
KMT2A Q03164 1/20 0.75
HTR2A P28223 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
SLC6A2 P23975 5/20 0.46
SLC6A4 P31645 5/20 0.46
SLC6A3 Q01959 5/20 0.46
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
KIF11 P52732 1/20 0.41
LMNA P02545 1/20 0.40
PARP1 P09874 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL15096889 0.86 CYP3A4 (1.00) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL1076323 0.86 CYP3A4 (1.00) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL6010798 0.81 CYP3A4 (0.66) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL4312910 0.78 CYP2D6 (0.66) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL11102977 0.76 PARP1 (0.68) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL14494799 0.76 PARP1 (0.68) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL30062043 0.76 MEN1 (0.64) MEN1CYP3A4CYP2D6KMT2ASLC6A2
SCHEMBL9614919 0.74 HTR6 (0.54) TAAR1SIGMAR1
SCHEMBL27404902 0.73 CYP3A4 (0.69) MEN1CYP3A4CYP2D6KMT2AHTR2A
SCHEMBL19164320 0.73 MEN1 (0.69) MEN1CYP3A4CYP2D6KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838315-B1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHODS FOR PRODUCING THEM, THEIR USE AS DRUG, AND DRUG CONTAINING THEM SANOFI SA (FR) 2014-03-12 EP disclosed
US-7868003-B2 Substituted 4-phenyltetrahydroisoquinolines, pharmaceutical compositions comprising them and therapeutic methods for their use SANOFI-AVENTIS (FR) 2011-01-11 US disclosed
US-20080058328-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, PHARMACEUITCAL COMPOSITIONS COMPRISING THEM AND THERAPEUTIC METHODS FOR THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-06 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 (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-20080058328-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, PHARMACEUITCAL COMPOSITIONS COMPRISING THEM AND THERAPEUTIC METHODS FOR THEIR USE REN, MTNR1B, MTNR1A MEN1 3172/4885CYP3A4 85/4885CYP2D6 157/4885

“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.