SCHEMBL18740303

SCHEMBL18740303

O=C(O)c1c(C(F)(F)F)nn2c1N(Cc1ccc(C(F)(F)F)cc1)CCC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ EPAS1 Q99814 2/20 0.40
▸ SIGMAR1 Q99720 3/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ GRIA2 P42262 1/20 0.38
▸ FABP4 P15090 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LMNA P02545 1/20 0.36

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
SCHEMBL18740167 0.93 HDAC1 (0.42) KDM4EALDH1A1HIF1AEPAS1SIGMAR1
SCHEMBL18739995 0.91 GRIA2 (0.40) SIGMAR1KCNH2CYP1A2CYP2C9GRIA2
SCHEMBL18740131 0.88 PTGER4 (0.46) KDM4EALDH1A1SIGMAR1FAAHKCNH2
SCHEMBL18740168 0.87 KDM4E (0.41) KDM4EALDH1A1HIF1AEPAS1HRH3
SCHEMBL18740150 0.85 TDP1 (0.42) KDM4EALDH1A1SIGMAR1FAAHCYP1A2
SCHEMBL18740044 0.84 HPGD (0.39) KDM4EALDH1A1SIGMAR1KCNH2CYP1A2
SCHEMBL18740177 0.84 MEN1 (0.43) ALDH1A1HDAC1
SCHEMBL18740161 0.83 SMN1; SMN2 (0.38) KDM4EALDH1A1CYP1A2CYP2C9GRIA2
SCHEMBL18740316 0.83 LMNA (0.44) KDM4EALDH1A1LMNA
SCHEMBL18740042 0.82 PTGER4 (0.58) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11434246-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-09-06 — — US disclosed
EP-3362454-B1 EP4 ANTAGONISTS EISAI R&D MAN CO LTD (JP) 2021-12-08 — — EP disclosed
US-20210347779-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-11-11 — — US disclosed
US-20210347779-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-11-11 — — US disclosed
CN-108473497-B EP4 antagonists 卫材R&D 管理有限公司 2021-09-10 — — CN disclosed
US-10941148-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-03-09 — — US disclosed
US-20190315754-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-10-17 — — US disclosed
US-10316040-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-06-11 — — US disclosed
US-10316040-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-06-11 — — US disclosed
US-20180305362-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-10-25 — — US disclosed
EP-3362454-A1 EP4 ANTAGONISTS Eisai R&D Management Co., Ltd. (JP) 2018-08-22 — — EP disclosed
WO-2017066633-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-04-20 — — WO disclosed
WO-2017066633-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-04-20 — — 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 (6 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-11434246-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 KDM4E 942/4885ALDH1A1 956/4885HIF1A 2013/4885
US-20180305362-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 KDM4E 942/4885ALDH1A1 956/4885HIF1A 2013/4885
US-10316040-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 KDM4E 942/4885ALDH1A1 956/4885HIF1A 2013/4885
US-10941148-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 KDM4E 942/4885ALDH1A1 956/4885HIF1A 2013/4885
US-20190315754-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 KDM4E 942/4885ALDH1A1 956/4885HIF1A 2013/4885
US-20210347779-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 KDM4E 942/4885ALDH1A1 956/4885HIF1A 2013/4885

“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.

Send feedback