SCHEMBL4720733

SCHEMBL4720733

CN(C)C1CCN(C(=O)[C@H](N)Cc2cc(Cl)c(N)c(C(F)(F)F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAMP1 O60894 1/20 0.44
CALCRL Q16602 1/20 0.44
OPRD1 P41143 4/20 0.42
ADRB2 P07550 2/20 0.39
EPHX2 P34913 2/20 0.39
DPP4 P27487 2/20 0.38
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
RORC P51449 1/20 0.37
PDK2 Q15119 1/20 0.37
SMYD3 Q9H7B4 3/20 0.36
OPRK1 P41145 2/20 0.36
L3MBTL3 Q96JM7 1/20 0.36

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
SCHEMBL13361289 0.87 RAMP1 (0.48) RAMP1CALCRLOPRD1ADRB2EPHX2
SCHEMBL4720819 0.85 RAMP1 (0.50) RAMP1CALCRLOPRD1ADRB2DPP4
SCHEMBL5248991 0.84 RAMP1 (0.59) RAMP1CALCRLOPRD1ADRB2EPHX2
SCHEMBL4718770 0.84 RAMP1 (0.49) RAMP1CALCRLADRB2DPP4FAP
SCHEMBL4720730 0.84 RAMP1 (0.49) RAMP1CALCRLADRB2DPP4FAP
Hydrochloric Acid SCHEMBL3306020 0.83 RAMP1 (0.49) RAMP1CALCRLADRB2DPP4FAP
SCHEMBL4763045 0.77 AKT1 (0.47) DPP4DPP8DPP7
SCHEMBL3309849 0.75 GRB2 (0.44) ADRB2
SCHEMBL3309854 0.75 GRB2 (0.44) ADRB2
SCHEMBL3314750 0.75 RAMP1 (0.59) RAMP1CALCRLADRB2EPHX2L3MBTL3

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
EP-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 EP claimed
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 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-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA RAMP1 84/4885CALCRL 1/4885OPRD1 25/4885

“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.