SCHEMBL12263103

SCHEMBL12263103

CC(C)N1C(=O)C2(CCOCC2)CC[C@H]1c1cc(F)cc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.35
RIPK1 Q13546 7/20 0.33
MDM2 Q00987 2/20 0.32
TP53 P04637 1/20 0.32
P2RX7 Q99572 1/20 0.32
GRIA4 P48058 1/20 0.30
HTR4 Q13639 1/20 0.30

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
SCHEMBL12263094 0.88 RIPK1 (0.40) RIPK1MDM2TP53P2RX7GRIA4
SCHEMBL15354521 0.84 HRH3 (0.36) HRH3RIPK1P2RX7HTR4
SCHEMBL2190251 0.76 CALCRL (0.34) HRH3RIPK1HTR4
SCHEMBL1274637 0.76 CALCRL (0.34) HRH3RIPK1HTR4
SCHEMBL12263102 0.71 MDM2 (0.36) RIPK1MDM2TP53P2RX7
SCHEMBL15354518 0.71 RIPK1 (0.41) RIPK1P2RX7GRIA4
SCHEMBL12263085 0.69 CALCRL (0.41) RIPK1MDM2TP53P2RX7GRIA4
SCHEMBL12263100 0.68 CALCRL (0.40) RIPK1MDM2TP53
SCHEMBL12921087 0.63 CALCRL (0.41) RIPK1
SCHEMBL1274728 0.63 CALCRL (0.41) RIPK1

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 HRH3 55/4885RIPK1 3516/4885MDM2 4695/4885

“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.