SCHEMBL4227928

SCHEMBL4227928

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(N)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.69
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 4/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
NPC1 O15118 2/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK14 Q16539 1/20 0.47
NPY5R Q15761 2/20 0.47
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
GAA P10253 1/20 0.44
MTNR1B P49286 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL4236704 0.86 PKM (0.66) PKMCYP2C9CYP2C19ALDH1A1RAB9A
SCHEMBL4228260 0.85 PKM (0.54) PKMCYP2C9CYP2C19ALDH1A1RAB9A
SCHEMBL4238927 0.85 PKM (0.54) PKMCYP2C9CYP2C19ALDH1A1RAB9A
SCHEMBL4233459 0.85 PKM (0.57) PKMCYP2C9CYP2C19ALDH1A1RAB9A
Ammonia Solution, Strong SCHEMBL4233431 0.84 PKM (0.56) PKMCYP2C9CYP2C19ALDH1A1RAB9A
SCHEMBL4240850 0.84 PKM (0.53) PKMMAPTTAS1R3TAS1R1
SCHEMBL4229305 0.84 PKM (0.60) PKMALDH1A1RAB9AMAPTTAS1R3
SCHEMBL4236991 0.84 PKM (0.53) PKMCYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL4229275 0.84 PKM (0.63) PKMCYP2C9CYP2C19ALDH1A1RAB9A
SCHEMBL4228811 0.84 PKM (0.60) PKMALDH1A1RAB9AMAPTTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US claimed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R PKM 1734/4885CYP2C9 1439/4885CYP2C19 733/4885

“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.