SCHEMBL12169171

SCHEMBL12169171

C/C(=C\C(=O)N(C)[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCN(C)CC1)CC(C)(C)N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.44
HSD17B10 Q99714 1/20 0.42
CHRM1 P11229 5/20 0.41
DPP4 P27487 1/20 0.38
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
AKT3 Q9Y243 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CTSB P07858 1/20 0.36
POLB P06746 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 1/20 0.35
UGCG Q16739 1/20 0.35

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
SCHEMBL867581 0.90 GHSR (0.45) GHSRHSD17B10CHRM1DPP4
SCHEMBL867582 0.90 GHSR (0.45) GHSRHSD17B10CHRM1DPP4
SCHEMBL10039188 0.90 GHSR (0.42) GHSRCHRM1DPP4AKT1AKT2
SCHEMBL868065 0.90 GHSR (0.42) GHSRDPP4HRH2HRH1ALDH1A1
SCHEMBL868066 0.90 GHSR (0.42) GHSRDPP4HRH2HRH1ALDH1A1
SCHEMBL868454 0.85 GHSR (0.49) GHSRDPP4
SCHEMBL868453 0.85 GHSR (0.49) GHSRDPP4
SCHEMBL12169176 0.85 GHSR (0.49) GHSRDPP4AKT1AKT2AKT3
SCHEMBL13996829 0.84 GHSR (0.46) GHSRDPP4
SCHEMBL7161014 0.82 GHSR (0.46) GHSRALDH1A1MAPT

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-8394833-B2 Methods of treating emesis using growth hormone secretagogues HELSINN THERAPEUTICS (U.S.), INC. (US) 2013-03-12 US disclosed
US-20120232113-A1 METHODS OF TREATING EMESIS USING GROWTH HORMONE SECRETAGOGUES HELSINN THERAPEUTICS (U.S.), INC. (US) 2012-09-13 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-20120232113-A1 METHODS OF TREATING EMESIS USING GROWTH HORMONE SECRETAGOGUES GHSR, GHRHR, CRH GHSR 1/4885HSD17B10 1307/4885CHRM1 3668/4885

“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.