SCHEMBL178751

SCHEMBL178751

COC(=O)[C@@H](Cc1cc(C)c(N)c(C)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
ALOX15 P16050 1/20 0.58
KYNU Q16719 1/20 0.54
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
POLB P06746 1/20 0.52
CYP3A4 P08684 3/20 0.52
TSHR P16473 3/20 0.52
TACR1 P25103 2/20 0.51
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
CAPN1 P07384 1/20 0.49

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
SCHEMBL13030988 0.94 ALDH1A1 (0.55) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL13030987 0.89 GSTP1 (0.51) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL5162151 0.88 ALDH1A1 (0.56) ALDH1A1ALOX15KYNUCTSLCTSB
Hydrochloric Acid SCHEMBL5162142 0.87 ALDH1A1 (0.55) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL31628182 0.87 ALDH1A1 (0.57) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL31628222 0.87 ALDH1A1 (0.57) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL7151822 0.86 ALDH1A1 (0.74) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL329686 0.86 ALDH1A1 (0.74) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL13536740 0.85 POLB (0.63) ALDH1A1ALOX15KYNUCTSLCTSB
Hydrochloric Acid SCHEMBL7928050 0.85 ALDH1A1 (0.72) ALDH1A1ALOX15KYNUCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025125353-A1 METHOD OF PREPARATION OF ZAVEGEPANT, SYNTHESIS INTERMEDIATES OF ZAVEGEPANT AND METHODS OF PREPARATION THEREOF MOEHS IBERICA, S.L. (ES) 2025-06-19 WO disclosed
US-20220401439-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS PFIZER IRELAND PHARMACEUTICALS (IE) 2022-12-22 US disclosed
WO-2021127070-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2021-06-24 WO disclosed
EP-2552906-B1 CGRP RECEPTOR ANTAGONIST BRISTOL MYERS SQUIBB CO (US) 2016-01-06 EP disclosed
US-8481546-B2 CGRP receptor antagonist BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-09 US disclosed
US-20120059017-A1 CGRP Receptor Antagonist BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
WO-2011123232-A1 CGRP RECEPTOR ANTAGONIST BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 WO disclosed
US-7569578-B2 Heterocyclic anti-migraine agents BRISTOL-MEYERS SQUIBB COMPANY (US) 2009-08-04 US disclosed
US-7449586-B2 Processes for the preparation of CGRP-receptor antagonists and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 US disclosed
US-7449586-B2 Processes for the preparation of CGRP-receptor antagonists and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 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 (2 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-20220401439-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS CALCA, CALCB, CALCRL ALDH1A1 2986/4885ALOX15 1564/4885KYNU 2150/4885
US-20120059017-A1 CGRP Receptor Antagonist CALCRL, PTGIR, CALCR ALDH1A1 1718/4885ALOX15 763/4885KYNU 1843/4885

“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.