SCHEMBL3522951

SCHEMBL3522951

Cc1cc(C[C@@H](OC(=O)N2CCC(n3c(=O)[nH]c4c5ccccc5ncc43)CC2)C(=O)O)cc(C)c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 11/20 0.41
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
TNKS O95271 4/20 0.38
PARP1 P09874 4/20 0.38
PARP2 Q9UGN5 4/20 0.38
HSD11B1 P28845 1/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 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
SCHEMBL3522954 1.00 CALCRL (0.41) CALCRLTSHRSMN1; SMN2CHRM2CHRM4
SCHEMBL3523894 0.94 CALCRL (0.41) CALCRLTSHRSMN1; SMN2CHRM2CHRM4
SCHEMBL3523890 0.94 CALCRL (0.41) CALCRLTSHRSMN1; SMN2CHRM2CHRM4
SCHEMBL3517660 0.91 CALCRL (0.43) CALCRLCHRM2CHRM4CHRM5CHRM1
SCHEMBL3517657 0.91 CALCRL (0.43) CALCRLCHRM2CHRM4CHRM5CHRM1
SCHEMBL13313776 0.80 CALCRL (0.47) CALCRLCHRM2CHRM4CHRM5CHRM1
SCHEMBL13313771 0.80 CALCRL (0.46) CALCRLCHRM2CHRM4CHRM5CHRM1
SCHEMBL3524610 0.79 CALCRL (0.55) CALCRLCHRM2CHRM4CHRM5CHRM1
SCHEMBL3524613 0.79 CALCRL (0.55) CALCRLCHRM2CHRM4CHRM5CHRM1
SCHEMBL3353707 0.78 CALCRL (0.56) CALCRL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-7696209-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-23 US disclosed
US-7528129-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-05 US disclosed
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 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 (3 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-20090186881-A1 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCRL 1/4885TSHR 261/4885SMN1; SMN2 4307/4885
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCRL 1/4885TSHR 307/4885SMN1; SMN2 4049/4885
US-20100144716-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCRL 1/4885TSHR 307/4885SMN1; SMN2 4049/4885

“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.