SCHEMBL20601649

SCHEMBL20601649

O=C(O)c1ccc(N2CCc3ccc(F)cc3C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.52
ALDH1A1 P00352 2/20 0.48
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA9 Q16790 3/20 0.44
MAPK14 Q16539 1/20 0.40
AKR1C3 P42330 1/20 0.40
CA2 P00918 1/20 0.39
SCN2A Q99250 1/20 0.39
ADAM17 P78536 1/20 0.39
LMNA P02545 1/20 0.39
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 1/20 0.38
HTR7 P34969 1/20 0.38
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL31586091 1.00 BCAT2 (0.52) BCAT2ALDH1A1CA12CA1CA9
SCHEMBL22871444 0.90 BCAT2 (0.52) BCAT2ALDH1A1CA12CA1CA9
SCHEMBL22871437 0.85 BCAT2 (0.48) BCAT2ALDH1A1MAPK14LMNAPARP1
SCHEMBL20601715 0.84 CA12 (0.56) BCAT2ALDH1A1CA12CA1CA9
SCHEMBL31586005 0.84 CA12 (0.56) BCAT2ALDH1A1CA12CA1CA9
SCHEMBL22871294 0.84 BCAT2 (0.52) BCAT2ALDH1A1CA12CA1CA9
SCHEMBL22871477 0.84 MAPK14 (0.45) BCAT2ALDH1A1MAPK14AKR1C3SCD
SCHEMBL22871258 0.82 MAP4K4 (0.39) BCAT2MAPK14AKR1C3LMNASCD
SCHEMBL14158182 0.77 BCAT2 (0.53) BCAT2ALDH1A1CA12CA1CA9
SCHEMBL123266 0.77 BCAT2 (0.43) BCAT2PARP1PARP10RAB9ACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051310-A1 BENZAZEPINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-02-13 US disclosed
EP-4056557-B1 BENZAZEPINE DERIVATIVES USEFUL AS MEDICAMENTS OTSUKA PHARMA CO LTD (JP) 2023-11-22 EP disclosed
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-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-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-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
US-10889570-B2 Benzazepine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-01-12 US disclosed
EP-3645513-A1 BENZAZEPINE DERIVATIVES Otsuka Pharmaceutical Co., Ltd. (JP) 2020-05-06 EP disclosed
CN-110891939-A Benzazepine derivatives 大塚制药株式会社 2020-03-17 CN disclosed
WO-2019004421-A1 BENZAZEPINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-01-03 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-20210078976-A1 BENZAZEPINE DERIVATIVES AVPR2, AVPR1A, AVPR1B BCAT2 698/4885ALDH1A1 716/4885CA12 2815/4885
US-20230265073-A1 BENZAZEPINE DERIVATIVES AVPR2, AVPR1A, AVPR1B BCAT2 698/4885ALDH1A1 716/4885CA12 2815/4885
US-11673878-B2 Benzazepine derivatives AVPR2, AVPR1A, AVPR1B BCAT2 698/4885ALDH1A1 716/4885CA12 2815/4885
US-20250051310-A1 BENZAZEPINE DERIVATIVES AVPR2, AVPR1A, AVPR1B BCAT2 592/4885ALDH1A1 628/4885CA12 3386/4885
US-10889570-B2 Benzazepine derivatives AVPR2, AVPR1A, AVPR1B BCAT2 698/4885ALDH1A1 716/4885CA12 2815/4885

“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.