SCHEMBL13078740

SCHEMBL13078740

C=C(C)OC(=O)N1CCC(C(C#N)c2cccc3ccccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MGLL Q99685 4/20 0.38
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CASR P41180 4/20 0.36
CTSG P08311 2/20 0.35
CMA1 P23946 1/20 0.35
GPR119 Q8TDV5 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
SCHEMBL13044647 0.84 GPR119 (0.46) ESR1ESR2KDM4EGPR119
SCHEMBL3637394 0.79 HTR2A (0.41) KDM4E
SCHEMBL13984629 0.71 MGLL (0.46) MGLLKMT2AKDM4E
SCHEMBL1249503 0.70 EED (0.50) KDM4EGPR119
SCHEMBL1249505 0.70 EED (0.50) KDM4EGPR119
SCHEMBL3636645 0.69 SLC6A2 (0.46) KDM4E
SCHEMBL23587587 0.65 GPR119 (0.54) MGLLKDM4EGPR119
SCHEMBL13044670 0.65 HTR2A (0.44) KMT2AKDM4ECASR
SCHEMBL553509 0.65 GPR119 (0.49) KMT2AGPR119
SCHEMBL554690 0.65 GPR119 (0.49) KMT2AGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2010-11-11 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-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GIPR, GHSR, GLP1R ESR1 760/4885ESR2 611/4885MGLL 1932/4885

“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.