SCHEMBL4512351

SCHEMBL4512351

CC(C)(C)OC(=O)N(CC(=O)O)C1CCN(C2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.50
CHRM4 P08173 2/20 0.49
CHRM2 P08172 3/20 0.48
CHRM3 P20309 3/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
ACHE P22303 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RECQL P46063 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
KMT2A Q03164 1/20 0.43

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
Hydrochloric Acid SCHEMBL8480640 0.83 OPRM1 (0.52) OPRM1CHRM2CHRM3SIGMAR1KMT2A
SCHEMBL5725684 0.82 OPRM1 (0.51) OPRM1CHRM4CHRM2CHRM3ACHE
SCHEMBL6657986 0.82 LTA4H (0.52) OPRM1CHRM2CHRM3ALDH1A1ACHE
SCHEMBL28741984 0.81 OPRM1 (0.53) OPRM1CHRM2CHRM3ACHESIGMAR1
SCHEMBL1205295 0.81 ACHE (0.45) OPRM1CHRM4CHRM2CHRM3KDM4E
SCHEMBL8189152 0.79 CCR5 (0.58) OPRM1CHRM2CHRM3ACHESIGMAR1
SCHEMBL803672 0.79 SIGMAR1 (0.59) OPRM1CHRM2CHRM3ACHESIGMAR1
SCHEMBL34474746 0.78 CCR5 (0.53) OPRM1CHRM4CHRM2CHRM3KDM4E
SCHEMBL7499304 0.78 CCR5 (0.53) OPRM1CHRM4CHRM2CHRM3KDM4E
SCHEMBL16054269 0.78 OPRM1 (0.59) OPRM1CHRM2CHRM3KDM4EALDH1A1

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
US-7579341-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-25 US disclosed
US-20070049581-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-01 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-20070049581-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA OPRM1 44/4885CHRM4 238/4885CHRM2 101/4885

“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.