SCHEMBL13664430

SCHEMBL13664430

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCCNC(=O)c3ccc4ccccc4c3)c2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.47
DRD3 P35462 4/20 0.47
ADRA1A P35348 2/20 0.47
SLC6A4 P31645 2/20 0.46
SLC6A2 P23975 1/20 0.46
HTR1A P08908 4/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCR1 P32246 1/20 0.41
DRD4 P21917 4/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
HTR2C P28335 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40

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
SCHEMBL13664409 0.98 SLC6A4 (0.46) DRD2DRD3ADRA1ASLC6A4SLC6A2
SCHEMBL13664458 0.92 CFTR (0.43) DRD2SLC6A4SLC6A2POLBGAA
SCHEMBL13664404 0.91 CNR1 (0.46) DRD2POLBGAAMAPTTDP1
SCHEMBL13664349 0.91 CNR1 (0.46) DRD2POLBGAAMAPTTDP1
SCHEMBL13664403 0.91 L3MBTL1 (0.46) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL13664372 0.91 CNR1 (0.47) DRD2POLBGAAMAPTTDP1
SCHEMBL13664329 0.90 CNR1 (0.46) DRD2POLBGAAMAPTTDP1
SCHEMBL13664143 0.89 POLB (0.46) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL13664373 0.89 POLB (0.46) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL13664364 0.89 DRD4 (0.50) DRD2POLBGAAMAPTTDP1

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 DRD2 985/4885DRD3 900/4885ADRA1A 390/4885

“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.