SCHEMBL12263100

SCHEMBL12263100

CC(C)N1C(=O)C2(CCCCC2)NC[C@H]1c1cc(F)cc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 6/20 0.40
RAMP1 O60894 2/20 0.39
CALCA P06881 1/20 0.39
ALDH1A1 P00352 2/20 0.34
SLC6A9 P48067 1/20 0.34
AR P10275 2/20 0.33
RIPK1 Q13546 1/20 0.33
MDM2 Q00987 2/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL12263085 0.99 CALCRL (0.41) CALCRLRAMP1CALCAALDH1A1SLC6A9
SCHEMBL15354511 0.85 CALCRL (0.41) CALCRLRAMP1CALCAALDH1A1SLC6A9
SCHEMBL15354514 0.84 CALCRL (0.41) CALCRLRAMP1CALCAALDH1A1AR
SCHEMBL1273297 0.84 CALCRL (0.45) CALCRLRAMP1CALCARIPK1MDM2
SCHEMBL1226173 0.84 CALCRL (0.45) CALCRLRAMP1CALCARIPK1MDM2
SCHEMBL1273885 0.84 CALCRL (0.45) CALCRLRAMP1CALCARIPK1MDM2
SCHEMBL12263094 0.77 RIPK1 (0.40) CALCRLRIPK1MDM2TP53
SCHEMBL3590594 0.76 CALCRL (0.54) CALCRLRAMP1CALCARIPK1L3MBTL1
SCHEMBL3590576 0.76 CALCRL (0.54) CALCRLRAMP1CALCARIPK1L3MBTL1
SCHEMBL3592002 0.76 CALCRL (0.54) CALCRLRAMP1CALCARIPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569291-B2 Bicyclic dihydroimidazolone CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20110224230-A1 BICYCLIC DIHYDROIMIDAZOLONE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-09-15 US disclosed
US-20110224230-A1 BICYCLIC DIHYDROIMIDAZOLONE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2011-09-15 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-20110224230-A1 BICYCLIC DIHYDROIMIDAZOLONE CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR CALCRL 4/4885RAMP1 110/4885CALCA 9/4885

“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.