SCHEMBL4294256

SCHEMBL4294256

CN(C(=O)C=CCC1(N)CCC1)[C@H](Cc1ccc2ccccc2c1)C(=O)N(CCc1ccccc1)CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 8/20 0.57
MC4R P32245 2/20 0.37
MC5R P33032 2/20 0.37
MC3R P41968 2/20 0.37
TACR1 P25103 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL4294251 1.00 GHSR (0.57) GHSRMC4RMC5RMC3RTACR1
SCHEMBL3267246 0.86 GHSR (0.50) GHSRTACR1MMP9MMP8
SCHEMBL3267249 0.86 GHSR (0.50) GHSRTACR1MMP9MMP8
SCHEMBL6319064 0.83 GHSR (0.49) GHSRTACR1SIGMAR1
SCHEMBL6319068 0.83 GHSR (0.49) GHSRTACR1SIGMAR1
SCHEMBL10039191 0.82 GHSR (0.46) GHSRTACR1
SCHEMBL1401016 0.82 GHSR (0.46) GHSRTACR1
SCHEMBL1401013 0.82 GHSR (0.46) GHSRTACR1
SCHEMBL867608 0.81 GHSR (0.45) GHSRTACR1
SCHEMBL7896416 0.81 GHSR (0.45) GHSRTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10039813-B2 Use of antagonists of ghrelin or ghrelin receptor to prevent or treat stress-sensitive psychiatric illness MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-08-07 US disclosed
US-9821042-B2 Use of antagonists of ghrelin or ghrelin receptor to prevent or treat stress-sensitive psychiatric illness MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-11-21 US disclosed
US-20160106821-A1 FUNCTIONAL GHRELIN RECEPTOR ANTAGONISM DURING PREGNANCY TO PREVENT STRESS-ASSOCIATED MENTAL ILLNESS IN OFFSPRING AND MOTHERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-04-21 US disclosed
US-20160058851-A1 USE OF ANTAGONISTS OF GHRELIN OR GHRELIN RECEPTOR TO PREVENT OR TREAT STRESS-SENSITIVE PSYCHIATRIC ILLNESS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-03-03 US disclosed
US-20150297691-A1 USE OF ANTAGONISTS OF GHRELIN OR GHRELIN RECEPTOR TO PREVENT OR TREAT STRESS-SENSITIVE PSYCHIATRIC ILLNESS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-10-22 US disclosed
WO-2013119800-A1 USE OF ANTAGONISTS OF GHRELIN OR GHRELIN RECEPTOR TO PREVENT OR TREAT STRESS-SENSITIVE PSYCHIATRIC ILLNESS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-15 WO disclosed
US-20090149512-A1 Use of Ghrelin Antagonists to the Treatment of Certain CNS Diseases NOVO NORDISK A/S (DK) 2009-06-11 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-20090149512-A1 Use of Ghrelin Antagonists to the Treatment of Certain CNS Diseases GIPR, GHSR, GPR119 GHSR 2/4885MC4R 8/4885MC5R 35/4885

“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.