SCHEMBL18489346

SCHEMBL18489346

COC(=O)c1cc(C)nc(C(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ KMT2A Q03164 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ KDM5A P29375 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ XDH P47989 1/20 0.43

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
SCHEMBL17915876 0.89 KDM4E (0.55) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL1179268 0.83 CA12 (0.50) KDM4EKMT2AMEN1CA12CA1
SCHEMBL5204247 0.83 KDM4E (0.61) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL1425710 0.80 TPMT (0.43) KDM4EALDH1A1TDP1LMNAGAA
SCHEMBL20888500 0.80 NPC1 (0.41) KDM4EALDH1A1KMT2AMEN1LMNA
SCHEMBL12852755 0.80 KDM4E (0.46) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL19531810 0.79 TLR8 (0.44) ALDH1A1KDM5APOLB
SCHEMBL15980622 0.79 POLB (0.41) KDM4ELMNAPOLBMAPK1
SCHEMBL9288795 0.78 KDM4E (0.55) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL16727015 0.77 KDM4E (0.54) KDM4EALDH1A1KMT2AHPGDMEN1

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 24 patents — showing the first 20. 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
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 — — US disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 — — US 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-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — US disclosed
US-9637495-B2 CGRP receptor antagonists ELI LILLY AND COMPANY (US) 2017-05-02 — — US disclosed
US-9637495-B2 CGRP receptor antagonists ELI LILLY AND COMPANY (US) 2017-05-02 — — US disclosed
US-20170044138-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2017-02-16 — — 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-20170044138-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2017-02-16 — — US disclosed
US-20170044163-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2017-02-16 — — US disclosed
US-20170044163-A1 CGRP RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2017-02-16 — — US 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 (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-20170044163-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CCKBR KDM4E 4058/4885ALDH1A1 1467/4885KMT2A 3881/4885
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS KDM5A, KDM5C, KDM5B KDM4E 14/4885ALDH1A1 1228/4885KMT2A 34/4885
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors KDM5A, KDM5C, KDM1B KDM4E 14/4885ALDH1A1 1149/4885KMT2A 35/4885
US-20170044138-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CCKBR KDM4E 4058/4885ALDH1A1 1467/4885KMT2A 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.

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