SCHEMBL106237

SCHEMBL106237

COC(=O)C(C1CCN(C(=O)OC(C)(C)C)CC1)C(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
GPR119 Q8TDV5 5/20 0.43
EED O75530 1/20 0.43
RBBP4 Q09028 1/20 0.43
SUZ12 Q15022 1/20 0.43
EZH2 Q15910 1/20 0.43
AEBP2 Q6ZN18 1/20 0.43
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
MMP13 P45452 7/20 0.41
MMP1 P03956 4/20 0.41
MMP3 P08254 3/20 0.41
MMP7 P09237 3/20 0.41
MMP9 P14780 3/20 0.41
MMP8 P22894 3/20 0.41
MMP2 P08253 2/20 0.41
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL29151392 0.96 ALDH1A1 (0.43) ALDH1A1GPR119EEDRBBP4SUZ12
SCHEMBL23564637 0.91 KDM4E (0.44) ALDH1A1GPR119EEDRBBP4SUZ12
SCHEMBL13804342 0.84 GPR119 (0.52) ALDH1A1GPR119EEDRBBP4SUZ12
SCHEMBL30721769 0.83 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EPKMHTT
SCHEMBL27885918 0.80 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EHTTRAB9A
SCHEMBL2977087 0.80 SIGMAR1 (0.51) ALDH1A1MAPTPKMMAPK1RAB9A
SCHEMBL2212752 0.79 GPR119 (0.47) ALDH1A1GPR119EEDRBBP4SUZ12
SCHEMBL4046393 0.78 GPR119 (0.41) ALDH1A1GPR119EEDRBBP4SUZ12
Tert-Butyl Formate SCHEMBL27902787 0.78 ALDH1A1 (0.46) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL26912186 0.76 ALDH1A1 (0.43) ALDH1A1GPR119EEDRBBP4SUZ12

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 20 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
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
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
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-8481546-B2 CGRP receptor antagonist BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-09 US 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
US-20120059017-A1 CGRP Receptor Antagonist BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 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
WO-2011123232-A1 CGRP RECEPTOR ANTAGONIST BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 WO 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-20220401439-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS CALCA, CALCB, CALCRL ALDH1A1 2986/4885GPR119 300/4885EED 4863/4885
US-20240408080-A1 PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS AND METHODS OF THEIR USE CALCA, CALCB, CALCRL ALDH1A1 2302/4885GPR119 536/4885EED 4844/4885
US-20120059017-A1 CGRP Receptor Antagonist CALCRL, PTGIR, CALCR ALDH1A1 1718/4885GPR119 482/4885EED 4732/4885

“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.