SCHEMBL18740128

SCHEMBL18740128

COC(=O)c1c(C(F)(F)F)nn2c1N(c1cccc(Cl)c1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ DHODH Q02127 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CCR1 P32246 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.39

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
SCHEMBL18740275 0.90 LMNA (0.46) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL18758616 0.89 BRD4 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL18740254 0.86 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL29894128 0.84 PTGER4 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL28624098 0.84 PTGER4 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL18758537 0.84 PTGER4 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL18740013 0.83 CISD2 (0.39) MAPTLMNACCR1ALDH1A1MAPK1
SCHEMBL18740092 0.82 PKM (0.45) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL18758571 0.80 PKM (0.41) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL18758504 0.77 PTGER4 (0.51) —

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
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
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-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-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 CYP1A2 886/4885CYP3A4 137/4885CYP2C9 1178/4885
US-20180305362-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 CYP1A2 886/4885CYP3A4 137/4885CYP2C9 1178/4885
US-10316040-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 CYP1A2 886/4885CYP3A4 137/4885CYP2C9 1178/4885
US-10941148-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 CYP1A2 886/4885CYP3A4 137/4885CYP2C9 1178/4885
US-20190315754-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 CYP1A2 886/4885CYP3A4 137/4885CYP2C9 1178/4885
US-20210347779-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 CYP1A2 886/4885CYP3A4 137/4885CYP2C9 1178/4885

“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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