SCHEMBL143636

SCHEMBL143636

COC(=O)/C(=C/c1cc(C)c(N)c(C)c1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
FKBP1A P62942 1/20 0.38
NTSR1 P30989 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL143637 1.00 NR1H4 (0.50) NR1H4MEN1KMT2ANPC1RAB9A
SCHEMBL138677 0.90 NR1H4 (0.49) NR1H4MEN1KMT2ANPC1RAB9A
SCHEMBL138676 0.90 NR1H4 (0.49) NR1H4MEN1KMT2ANPC1RAB9A
SCHEMBL178749 0.82 NPC1 (0.47) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL13756220 0.82 NPC1 (0.47) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL5242234 0.77 ALDH1A1 (0.50) NR1H4MEN1KMT2ANPC1RAB9A
SCHEMBL27885919 0.77 NR1H4 (0.43) NR1H4MEN1KMT2ANPC1RAB9A
SCHEMBL29282944 0.76 NR1H4 (0.67) NR1H4MEN1KMT2ANPC1RAB9A
SCHEMBL20401024 0.74 TDP1 (0.62) KMT2ANPC1RAB9ALMNAALDH1A1
SCHEMBL9726818 0.74 MEN1 (0.87) NR1H4MEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240408080-A1 PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS AND METHODS OF THEIR USE PFIZER IRELAND PHARMACEUTICALS 2024-12-12 US disclosed
EP-4284505-A1 PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS AND METHODS OF THEIR USE Pfizer Ireland Pharmaceuticals (IE) 2023-12-06 EP disclosed
US-20220401439-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS PFIZER IRELAND PHARMACEUTICALS (IE) 2022-12-22 US disclosed
EP-4076395-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS Biohaven Pharmaceutical Holding Company Ltd. (US) 2022-10-26 EP disclosed
CN-114980862-A Intranasal pharmaceutical compositions of CGRP inhibitors 拜尔哈文制药股份有限公司 2022-08-30 CN disclosed
WO-2022165291-A1 PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS AND METHODS OF THEIR USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2022-08-04 WO 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
EP-2552906-A1 CGRP RECEPTOR ANTAGONIST Bristol-Myers Squibb Company (US) 2013-02-06 EP 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-7449586-B2 Processes for the preparation of CGRP-receptor antagonists and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 US disclosed
CN-1914193-A Heterocyclic antimigraine agents BRISTOL MYERS SQUIBB CO (US) 2007-02-14 CN disclosed
WO-2006060678-A2 NOVEL PROCESSES FOR THE PREPARATION OF CGRP-RECEPTOR ANTAGONISTS AND INTERMEDIATES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-08 WO disclosed
US-20060122250-A1 Novel processes for the preparation of CGRP-receptor antagonists and intermediates thereof BRISTOL-MYERS SQUIBB COMPANY 2006-06-08 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 (4 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 NR1H4 2881/4885MEN1 655/4885KMT2A 4746/4885
US-20240408080-A1 PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS AND METHODS OF THEIR USE CALCA, CALCB, CALCRL NR1H4 2459/4885MEN1 1092/4885KMT2A 4777/4885
US-20060122250-A1 Novel processes for the preparation of CGRP-receptor antagonists and intermediates thereof CALCR, CALCRL, CALCB NR1H4 482/4885MEN1 1206/4885KMT2A 4762/4885
US-20120059017-A1 CGRP Receptor Antagonist CALCRL, PTGIR, CALCR NR1H4 1350/4885MEN1 1576/4885KMT2A 3897/4885

“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.