SCHEMBL979107

SCHEMBL979107

CC(=O)Nc1ccccc1C(O)CN(Cc1ccc(Cl)cc1Cl)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.51
SLC6A4 P31645 15/20 0.51
SLC6A3 Q01959 5/20 0.51
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
LPAR1 Q92633 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
CCR5 P51681 1/20 0.36

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
SCHEMBL4034490 0.85 LMNA (0.45) SLC6A2SLC6A4SLC6A3LMNACYP2D6
SCHEMBL979064 0.80 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4029586 0.77 SLC6A4 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL981084 0.77 OPRK1 (0.52) LMNACYP2D6GAA
SCHEMBL980297 0.76 PYCR1 (0.43) LMNALPAR1NPC1RAB9A
SCHEMBL5629271 0.75 LMNA (0.55) LMNAGAA
SCHEMBL980130 0.70 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4028989 0.69 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL4031996 0.68 HTT (0.49) LMNACYP2D6NPC1RAB9AGAA
Fumaric Acid SCHEMBL5997512 0.67 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3

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-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
EP-1838315-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHODS FOR PRODUCING THEM, THEIR USE AS DRUG, AND DRUG CONTAINING THEM sanofi-aventis (FR) 2007-10-03 EP disclosed
WO-2006074813-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, METHODS FOR PRODUCING THEM, THEIR USE AS DRUG, AND DRUG CONTAINING THEM SANOFI-AVENTIS (DE) 2006-07-20 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-20080058328-A1 SUBSTITUTED 4-PHENYLTETRAHYDROISOQUINOLINES, PHARMACEUITCAL COMPOSITIONS COMPRISING THEM AND THERAPEUTIC METHODS FOR THEIR USE REN, MTNR1B, MTNR1A SLC6A2 651/4885SLC6A4 374/4885SLC6A3 686/4885

“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.