SCHEMBL4099205

SCHEMBL4099205

CC(=O)Nc1ccc2nc(NC3CCc4cc(F)ccc43)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.44
MAPT P10636 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GLA P06280 1/20 0.41
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
TNNC1 P63316 1/20 0.41
RUNX1 Q01196 1/20 0.41
CBFB Q13951 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL3413266 0.88 TRPV1 (0.45) TRPV1NPC1RAB9AKMT2APOLB
SCHEMBL4109902 0.87 MAPT (0.44) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL4111354 0.87 NAMPT (0.42) TRPV1NPC1RAB9APOLBCYP2D6
SCHEMBL3413449 0.84 TRPV1 (0.42) TRPV1ALDH1A1CHRNB2CHRNA4DYRK1A
SCHEMBL4114887 0.84 NPC1 (0.41) TRPV1MAPTNPC1RAB9AKDM4E
SCHEMBL3408483 0.82 TRPV1 (0.46) TRPV1ALDH1A1
SCHEMBL3401343 0.82 KMT2A (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL4117870 0.81 ATM (0.49) MAPTNPC1KDM4EMEN1KMT2A
SCHEMBL3411341 0.81 USP2 (0.40) TRPV1KMT2AALDH1A1CHRNB2CHRNA4
SCHEMBL3415377 0.81 TRPV1 (0.39) TRPV1MAPTRAB9APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A TRPV1 379/4885MAPT 2836/4885NPC1 2931/4885

“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.