SCHEMBL18501650

SCHEMBL18501650

COC(=O)C[C@H](C)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 3/20 0.46
CYP1A2 P05177 2/20 0.46
MAPT P10636 3/20 0.45
RAB9A P51151 2/20 0.45
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACHE P22303 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX5 P09917 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL31601400 1.00 ALDH1A1 (0.49) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL502093 1.00 ALDH1A1 (0.49) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL18497906 0.84 MAPT (0.42) ALDH1A1POLBCYP1A2MAPTACHE
SCHEMBL18501652 0.84 MAPT (0.42) ALDH1A1POLBCYP1A2MAPTACHE
SCHEMBL17754960 0.84 RAB9A (0.51) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL13140497 0.84 ESR1 (0.48) ALDH1A1HPGDMAPTRAB9AACHE
SCHEMBL14567176 0.84 ESR1 (0.48) ALDH1A1HPGDMAPTRAB9AACHE
SCHEMBL2881396 0.84 ESR1 (0.48) ALDH1A1HPGDMAPTRAB9AACHE
SCHEMBL38660016 0.84 MEN1 (0.49) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL17875268 0.84 ACHE (0.61) ALDH1A1MEN1KMT2AHPGDMAPT

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
WO-2025111464-A1 JAK2 V617F INHIBITORS AND METHODS OF USE THEREOF RAYTHERA, INC. (US) 2025-05-30 WO disclosed
CN-110662741-B 3-methyl-pyrrolidine-2, 5-dione derivatives useful as CGRP receptor antagonists 伊莱利利公司 2022-08-16 CN disclosed
CN-110678457-B CGRP receptor antagonists 伊莱利利公司 2022-08-16 CN disclosed
US-11066386-B2 CGRP receptor antagonists ELI LILLY AND COMPANY (US) 2021-07-20 US disclosed
EP-3625220-B1 CGRP RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2021-03-10 EP disclosed
EP-3625221-B1 3-METHYL-PYRROLIDINE-2,5-DIONE DERIVATIVES USEFUL AS CGRP RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2021-03-03 EP disclosed
CN-107922385-B CGRP receptor antagonists 伊莱利利公司 2020-09-08 CN disclosed
US-20200181111-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2020-06-11 US disclosed
CN-110678457-A CGRP receptor antagonists 伊莱利利公司 2020-01-10 CN disclosed
CN-110662741-A 3-methyl-pyrrolidine-2, 5-dione derivatives useful as CGRP receptor antagonists 伊莱利利公司 2020-01-07 CN disclosed
US-10336726-B2 3-methyl-pyrrolidine-2,5-dione derivatives useful as CGRP receptor antagonists ELI LILLY AND COMPANY (US) 2019-07-02 US disclosed
CN-107922385-A Cgrp receptor antagonists 伊莱利利公司 2018-04-17 CN disclosed
US-9708297-B2 CGRP receptor antagonists ELI LILLY AND COMPANY (US) 2017-07-18 US disclosed
US-9708297-B2 CGRP receptor antagonists ELI LILLY AND COMPANY (US) 2017-07-18 US disclosed
US-20170044138-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2017-02-16 US disclosed
US-20170044138-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 (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-20200181111-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CCKBR ALDH1A1 1398/4885MEN1 1821/4885KMT2A 4375/4885
US-11066386-B2 CGRP receptor antagonists CALCRL, CALCR, CCKBR ALDH1A1 1398/4885MEN1 1821/4885KMT2A 4375/4885
US-10336726-B2 3-methyl-pyrrolidine-2,5-dione derivatives useful as CGRP receptor antagonists CALCR, CALCRL, GRPR ALDH1A1 1695/4885MEN1 1530/4885KMT2A 2916/4885
US-20170044138-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CCKBR ALDH1A1 1467/4885MEN1 1975/4885KMT2A 3881/4885

“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.