SCHEMBL18489392

SCHEMBL18489392

C=CCc1cc(C#N)cc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 2/20 0.35
RECQL P46063 2/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
FFAR1 O14842 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1425076 0.78 GRM5 (0.39) GRM5ALDH1A1RECQLTSHRKDM4E
SCHEMBL17490785 0.77 GRM5 (0.38) GRM5ALDH1A1RECQLTSHRKDM4E
SCHEMBL18506604 0.77 KDM4E (0.39) GRM5ALDH1A1RECQLTSHRKDM4E
SCHEMBL1425100 0.77 GRM5 (0.38) GRM5ALDH1A1RECQLTSHRKDM4E
SCHEMBL18517735 0.75 CTSK (0.47)
SCHEMBL1179216 0.74 KDM4E (0.45) GRM5ALDH1A1RECQLTSHRKDM4E
SCHEMBL1336479 0.71 KDM4E (0.40) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL18489423 0.70 LMNA (0.31)
SCHEMBL2408915 0.70 MBOAT4 (0.38) GRM5CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17386207 0.69 KMT2A (0.41) ALDH1A1KDM4EPOLBL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3341370-B1 CGRP RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2021-04-28 EP disclosed
EP-3334721-B1 CGRP RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2021-04-28 EP disclosed
CN-107922385-B CGRP receptor antagonists 伊莱利利公司 2020-09-08 CN disclosed
CN-107922406-B CGRP receptor antagonists 伊兰科美国公司 2020-04-03 CN disclosed
EP-3341370-A1 CGRP RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2018-07-04 EP disclosed
EP-3334721-A1 CGRP RECEPTOR ANTAGONISTS Eli Lilly and Company (US) 2018-06-20 EP disclosed
US-9708297-B2 CGRP receptor antagonists ELI LILLY AND COMPANY (US) 2017-07-18 US disclosed
US-9637495-B2 CGRP receptor antagonists ELI LILLY AND COMPANY (US) 2017-05-02 US disclosed
WO-2017027343-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2017-02-16 WO disclosed
US-20170044138-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2017-02-16 US disclosed
WO-2017027345-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2017-02-16 WO disclosed
US-20170044163-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2017-02-16 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-20170044163-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CCKBR GRM5 352/4885ALDH1A1 1467/4885RECQL 4042/4885
US-20170044138-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CCKBR GRM5 352/4885ALDH1A1 1467/4885RECQL 4042/4885

“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.