SCHEMBL3266446

SCHEMBL3266446

Cc1ccc(CNc2ccc3cc(CNc4ccccc4)ccc3n2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAOB P27338 1/20 0.43
NPY5R Q15761 1/20 0.41
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 4/20 0.39
TP53 P04637 1/20 0.39
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
HTT P42858 2/20 0.38
NOS1 P29475 2/20 0.38
MYC P01106 1/20 0.38
GAA P10253 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
SCHEMBL3267196 0.89 TRPC5 (0.46) TRPC5NPC1RAB9AMAOBNPY5R
SCHEMBL3266968 0.88 RAB9A (0.47) TRPC5NPC1RAB9ATSHRALDH1A1
SCHEMBL3267224 0.81 MAPT (0.40) TRPC5NPC1RAB9AMAOBTSHR
SCHEMBL3267003 0.80 MAPT (0.47) NPC1RAB9ATSHRKDM4EALDH1A1
SCHEMBL3266901 0.80 HTT (0.48) TRPC5NPC1RAB9ANPY5RTSHR
SCHEMBL3267312 0.80 POLB (0.49) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3267063 0.79 NPC1 (0.43) TRPC5NPC1RAB9ANPY5RTSHR
SCHEMBL2908631 0.79 NPC1 (0.47) TRPC5NPC1RAB9ANPY5RTSHR
SCHEMBL28784482 0.78 NPC1 (0.41) TRPC5NPC1RAB9ANPY5RTSHR
SCHEMBL30844035 0.77 NPC1 (0.51) TRPC5NPC1RAB9ANPY5RTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399674-B2 Quinolines HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
CN-101808999-B Quinoline derivatives as 5HT5A receptor antagonists HOFFMANN LA ROCHE 2013-02-13 CN disclosed
US-20120136018-A1 QUINOLINES KOLCZEWSKI SABINE (DE) 2012-05-31 US disclosed
CN-101808999-A Quinoline derivatives as 5HT5A receptor antagonists HOFFMANN LA ROCHE 2010-08-18 CN disclosed
EP-2195296-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-16 EP disclosed
US-20090088451-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040290-A1 QUINOLINE DERIVATIVES AS 5HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 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-20090088451-A1 QUINOLINES HTR5A, HTR1A, HTR1E TRPC5 132/4885NPC1 2108/4885RAB9A 873/4885
US-20120136018-A1 QUINOLINES HTR5A, HTR1A, HTR1E TRPC5 132/4885NPC1 2108/4885RAB9A 873/4885

“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.