SCHEMBL13664364

SCHEMBL13664364

COc1cccc(C(=O)NCCCNc2c(C#N)c(C(=O)c3ccc(C)cc3)nn2-c2ccc(Cl)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.50
DRD2 P14416 4/20 0.50
MAPT P10636 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
PMP22 Q01453 1/20 0.47
CFTR P13569 2/20 0.47
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CNR1 P21554 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 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
SCHEMBL13664469 0.94 DRD4 (0.44) DRD4DRD2MAPTCYP1A2CYP3A4
SCHEMBL13664372 0.94 CNR1 (0.47) DRD4DRD2MAPTCYP1A2CYP3A4
SCHEMBL13664347 0.94 CNR1 (0.43) DRD4DRD2MAPTCYP1A2CYP3A4
SCHEMBL13664458 0.93 CFTR (0.43) DRD4DRD2MAPTCYP1A2CYP3A4
SCHEMBL13664404 0.93 CNR1 (0.46) DRD4DRD2MAPTCYP1A2CYP3A4
SCHEMBL13664310 0.93 CFTR (0.46) DRD4DRD2MAPTCFTRTDP1
SCHEMBL13664360 0.92 CNR1 (0.42) DRD4DRD2MAPTCYP1A2CYP3A4
SCHEMBL13664398 0.91 NPC1 (0.46) DRD4DRD2MAPTCFTRTDP1
SCHEMBL13664329 0.91 CNR1 (0.46) DRD4DRD2MAPTCYP1A2CYP3A4
SCHEMBL13664143 0.91 POLB (0.46) MAPTTDP1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-08 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-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists GIPR, GPR119, GLP1R DRD4 2200/4885DRD2 985/4885MAPT 4701/4885

“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.