SCHEMBL29997207

SCHEMBL29997207

O=C(O)c1ccc2c(c1)CC1(CNc3ncccc31)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ SRD5A2 P31213 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ TDP2 O95551 1/20 0.35
▸ CALCRL Q16602 5/20 0.35
▸ RAMP1 O60894 3/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ SRD5A1 P18405 1/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ KDM4A O75164 1/20 0.35

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
SCHEMBL28708108 1.00 CALCA (0.41) CALCAALDH1A1SRD5A2KDM4EMAPT
SCHEMBL30973608 0.85 CALCRL (0.41) CALCACALCRLRAMP1
SCHEMBL30973610 0.85 CALCRL (0.41) CALCACALCRLRAMP1
SCHEMBL29517935 0.85 CALCRL (0.41) CALCACALCRLRAMP1
Hydrochloric Acid SCHEMBL31126009 0.84 CALCRL (0.40) CALCACALCRLRAMP1
Hydrochloric Acid SCHEMBL29517767 0.84 CALCRL (0.40) CALCACALCRLRAMP1
Water SCHEMBL29517893 0.84 CALCRL (0.40) CALCACALCRLRAMP1
SCHEMBL7030609 0.79 CALCRL (0.51) CALCACALCRLRAMP1
SCHEMBL1815456 0.79 CALCRL (0.51) CALCACALCRLRAMP1
SCHEMBL29996226 0.79 CALCRL (0.51) CALCACALCRLRAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306651-A1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2022-09-29 — — 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-20220306651-A1 CGRP ANTAGONIST COMPOUNDS CALCRL, CALCR, CALCA CALCA 3/4885ALDH1A1 710/4885SRD5A2 3297/4885

“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.

Send feedback