SCHEMBL18740131

SCHEMBL18740131

O=C(O)c1c(C(F)(F)F)nn2c1N(Cc1cccc(C(F)(F)F)c1)CCC2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.46
▸ PTGER2 P43116 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KDM4C Q9H3R0 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ SIGMAR1 Q99720 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ FABP4 P15090 2/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ P2RY14 Q15391 1/20 0.40

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
SCHEMBL18739966 0.94 PTGER4 (0.48) PTGER4PTGER2ALDH1A1KDM4EGAA
SCHEMBL18740150 0.88 TDP1 (0.42) ALDH1A1KDM4EKMT2AMEN1FAAH
SCHEMBL18740303 0.88 KDM4E (0.40) ALDH1A1KDM4EFAAHSIGMAR1LMNA
SCHEMBL18758706 0.88 ALDH1A1 (0.42) PTGER4PTGER2ALDH1A1KDM4EGAA
SCHEMBL18740312 0.84 PTGER4 (0.51) PTGER4PTGER2ALDH1A1KMT2AMEN1
SCHEMBL18739995 0.84 GRIA2 (0.40) SIGMAR1LMNAKCNH2SMN1; SMN2
SCHEMBL20539521 0.83 PTGER4 (0.41) PTGER4PTGER2ALDH1A1KMT2AMEN1
SCHEMBL18740059 0.83 PTGER4 (0.61) PTGER4PTGER2
SCHEMBL18740057 0.83 PTGER4 (0.61) PTGER4PTGER2
SCHEMBL18740258 0.83 CYP2C9 (0.43) ALDH1A1KDM4EKMT2AMEN1FAAH

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
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 (5 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-20180305362-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 PTGER4 1/4885PTGER2 4/4885ALDH1A1 956/4885
US-10316040-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 PTGER4 1/4885PTGER2 4/4885ALDH1A1 956/4885
US-10941148-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 PTGER4 1/4885PTGER2 4/4885ALDH1A1 956/4885
US-20190315754-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 PTGER4 1/4885PTGER2 4/4885ALDH1A1 956/4885
US-20210347779-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 PTGER4 1/4885PTGER2 4/4885ALDH1A1 956/4885

“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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