SCHEMBL22871332

SCHEMBL22871332

COC(=O)c1ccc(N2CCc3cc(F)ccc3C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.48
▸ MAPK14 Q16539 1/20 0.44
▸ AOC3 Q16853 5/20 0.44
▸ POLB P06746 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ SRD5A1 P18405 1/20 0.41
▸ SRD5A2 P31213 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL22871437 0.91 BCAT2 (0.48) BCAT2MAPK14POLBSRD5A1SRD5A2
SCHEMBL22871289 0.86 CYP11B2 (0.53) BCAT2SRD5A1SRD5A2ALDH1A1MAPT
SCHEMBL14158081 0.86 AOC3 (0.48) BCAT2AOC3SRD5A1SRD5A2ALDH1A1
SCHEMBL22871444 0.85 BCAT2 (0.52) BCAT2MAPK14AOC3HDAC3HDAC1
SCHEMBL22871276 0.83 RAB9A (0.45) MAPK14AOC3NPC1MAPTMAPK1
SCHEMBL20603199 0.80 BCAT2 (0.49) BCAT2AOC3SRD5A1SRD5A2ALDH1A1
SCHEMBL22871372 0.79 BCAT2 (0.48) BCAT2SRD5A1SRD5A2ALDH1A1MEN1
SCHEMBL16827362 0.78 PDE4A (0.55) MAPK14AOC3NPC1RAB9A
SCHEMBL29438613 0.78 PDE4A (0.55) MAPK14AOC3NPC1RAB9A
SCHEMBL29438611 0.78 PDE4A (0.55) MAPK14AOC3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265073-A1 BENZAZEPINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-08-24 — — US disclosed
US-20230265073-A1 BENZAZEPINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-08-24 — — US disclosed
US-11673878-B2 Benzazepine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-06-13 — — US disclosed
US-11673878-B2 Benzazepine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-06-13 — — US disclosed
US-20210078976-A1 BENZAZEPINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-03-18 — — US disclosed
US-10889570-B2 Benzazepine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-01-12 — — 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-20210078976-A1 BENZAZEPINE DERIVATIVES AVPR2, AVPR1A, AVPR1B BCAT2 698/4885MAPK14 2622/4885AOC3 1369/4885
US-20230265073-A1 BENZAZEPINE DERIVATIVES AVPR2, AVPR1A, AVPR1B BCAT2 698/4885MAPK14 2622/4885AOC3 1369/4885
US-11673878-B2 Benzazepine derivatives AVPR2, AVPR1A, AVPR1B BCAT2 698/4885MAPK14 2622/4885AOC3 1369/4885
US-10889570-B2 Benzazepine derivatives AVPR2, AVPR1A, AVPR1B BCAT2 698/4885MAPK14 2622/4885AOC3 1369/4885

“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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