SCHEMBL7075619

SCHEMBL7075619

C#CCCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.38
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CPB2 Q96IY4 10/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL21070242 0.98 MAPT (0.39) CA14MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL25718956 0.98 MAPT (0.39) CA14MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL25581839 0.98 MAPT (0.39) CA14MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL7072100 0.95 CPB2 (0.36) CA14MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL25207445 0.91 MAPT (0.40) CA14MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL26924302 0.91 MAPT (0.40) CA14MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL25216274 0.91 MAPT (0.40) CA14MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL7073506 0.87 HDAC6 (0.34) CA14CPB2HDAC1HDAC2HDAC6
SCHEMBL21070332 0.85 ALDH1A1 (0.38) CA14MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL22777483 0.83 ALDH1A1 (0.41) CA14MAPTCYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4653049-A2 CGRP ANTAGONIST COMPOUNDS Nxera Pharma UK Limited (GB) 2025-11-26 EP disclosed
EP-3983417-B1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LTD (GB) 2025-09-03 EP disclosed
US-20250136616-A1 CGRP ANTAGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2025-05-01 US disclosed
US-12227521-B2 CGRP antagonist compounds NXERA PHARMA UK LIMITED (GB) 2025-02-18 US disclosed
CN-114245797-B CGRP antagonist compounds 奈克斯拉制药英国有限公司 2024-09-17 CN disclosed
US-20220251110-A1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2022-08-11 US disclosed
CN-114245797-A CGRP antagonist compounds 赫普泰雅治疗有限公司 2022-03-25 CN disclosed
US-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin WYETH (US) 2003-06-12 US disclosed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 US disclosed
EP-1198231-A1 BICYCLIC ANTAGONISTS SELECTIVE FOR THE(ALPHA)V(BETA)3 INTEGRIN AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-24 EP disclosed
WO-2001007036-A1 BICYCLIC ANTAGONISTS SELECTIVE FOR THE αvβ3 INTEGRIN AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-01 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 (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-20220251110-A1 CGRP ANTAGONIST COMPOUNDS CALCRL, CALCR, OPRL1 CA14 4647/4885MAPT 2614/4885CYP1A2 2339/4885
US-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin ITGAV, ITGB2, ITGB3 CA14 3740/4885MAPT 4836/4885CYP1A2 2396/4885
US-20250136616-A1 CGRP ANTAGONIST COMPOUNDS CALCRL, CALCR, OPRL1 CA14 4647/4885MAPT 2614/4885CYP1A2 2339/4885
US-12227521-B2 CGRP antagonist compounds CALCRL, CALCR, OPRL1 CA14 4647/4885MAPT 2614/4885CYP1A2 2339/4885

“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.