SCHEMBL4233255

SCHEMBL4233255

CCC(CC)NC(=O)Nc1ccc(Oc2ccc(N)c(F)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.59
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
ALDH1A1 P00352 1/20 0.44
BRAF P15056 4/20 0.44
HDAC1 Q13547 4/20 0.44
MTNR1B P49286 2/20 0.44
MAPK1 P28482 1/20 0.43
NPY5R Q15761 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41

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
SCHEMBL4240208 0.88 PKM (0.63) PKMTAS1R3TAS1R1MAPK1NPC1
SCHEMBL4231850 0.86 PKM (0.48) PKMTAS1R3TAS1R1NPC1RAB9A
SCHEMBL4226997 0.85 PKM (0.47) PKMTAS1R3TAS1R1ALDH1A1NPC1
SCHEMBL4236682 0.85 PKM (0.64) PKMCYP2C9CYP2C19TAS1R3TAS1R1
Ammonia Solution, Strong SCHEMBL4235357 0.84 PKM (0.63) PKMCYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL4744588 0.84 PKM (0.57) PKMCYP2C9CYP2C19SLC1A3SLC1A2
SCHEMBL4227928 0.83 PKM (0.69) PKMCYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL4236455 0.81 PKM (0.63) PKMSLC1A3SLC1A2SLC1A1TAS1R3
SCHEMBL4228945 0.80 HRH3 (0.43) PKMTAS1R3TAS1R1
SCHEMBL4233195 0.79 PKM (0.48) PKMCYP2C9CYP2C19SLC1A3SLC1A2

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
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.