SCHEMBL10039191

SCHEMBL10039191

CC1CCN(C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)/C=C/CC2(N)CCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 7/20 0.46
OPRD1 P41143 1/20 0.40
HPGD P15428 1/20 0.38
TACR1 P25103 2/20 0.37
F10 P00742 1/20 0.35
PLAU P00749 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL7896416 0.94 GHSR (0.45) GHSROPRD1TACR1
SCHEMBL867608 0.94 GHSR (0.45) GHSROPRD1TACR1
SCHEMBL867607 0.94 GHSR (0.45) GHSROPRD1TACR1
SCHEMBL10039198 0.93 GHSR (0.44) GHSROPRD1TACR1
SCHEMBL867612 0.93 GHSR (0.44) GHSROPRD1TACR1
SCHEMBL867613 0.93 GHSR (0.44) GHSROPRD1TACR1
SCHEMBL13752317 0.93 GHSR (0.44) GHSROPRD1TACR1
SCHEMBL1401016 0.91 GHSR (0.46) GHSROPRD1TACR1
SCHEMBL1401013 0.91 GHSR (0.46) GHSROPRD1TACR1
SCHEMBL10039187 0.91 GHSR (0.40) GHSROPRD1HPGD

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 4 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-8288427-B2 Methods of treating emesis using growth hormone secretagogues HELSINN THERAPEUTICS (U.S.), INC. (US) 2012-10-16 US disclosed
US-20120232113-A1 METHODS OF TREATING EMESIS USING GROWTH HORMONE SECRETAGOGUES HELSINN THERAPEUTICS (U.S.), INC. (US) 2012-09-13 US disclosed
US-20120077745-A1 Method of stimulating the motility of the gastrointestinal system using growth hormone secretagogues HELSINN THERAPEUTICS (U.S.), INC. (US) 2012-03-29 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 (2 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-20120077745-A1 Method of stimulating the motility of the gastrointestinal system using growth hormone secretagogues GHSR, GHRHR, MLNR GHSR 1/4885OPRD1 57/4885HPGD 907/4885
US-20120232113-A1 METHODS OF TREATING EMESIS USING GROWTH HORMONE SECRETAGOGUES GHSR, GHRHR, CRH GHSR 1/4885OPRD1 3939/4885HPGD 485/4885

“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.