SCHEMBL23013754

SCHEMBL23013754

CCOC(=O)c1c(Br)nn2ccc(N3CCCC3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ DGAT1 O75907 3/20 0.43
▸ SOAT1 P35610 2/20 0.43
▸ SMPD3 Q9NY59 4/20 0.39
▸ PDE10A Q9Y233 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL23013507 0.90 PIK3CA (0.48) DGAT1SOAT1
SCHEMBL20119100 0.86 NPC1 (0.49) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL20119432 0.85 NPC1 (0.48) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL20119438 0.84 NPC1 (0.47) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL23013906 0.82 HTT (0.43) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL23013803 0.80 HTT (0.41) NPC1RAB9AKDM4EKMT2AALDH1A1
SCHEMBL29939181 0.79 DGAT1 (0.45) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL25150706 0.79 DGAT1 (0.45) NPC1RAB9AKDM4ERXFP1KMT2A
SCHEMBL23023665 0.77 PARP1 (0.37) ALDH1A1IRAK4PARP1HTTMAPT
SCHEMBL18208222 0.77 SMPD3 (0.52) NPC1RAB9AKDM4ERXFP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227507-B2 Pharmaceutical compounds PFIZER INC. (US) 2025-02-18 — — US disclosed
CN-114555604-B Pharmaceutical compounds 辉瑞公司 2024-11-15 — — CN disclosed
US-11634425-B2 Pharmaceutical compounds PFIZER INC. (US) 2023-04-25 — — US disclosed
US-20220324873-A1 PHARMACEUTICAL COMPOUNDS PFIZER INC. 2022-10-13 — — US disclosed
US-20220306639-A1 PHARMACEUTICAL COMPOUNDS PFIZER INC. 2022-09-29 — — US disclosed
EP-4017856-A1 PHARMACEUTICAL COMPOUNDS Reviral Limited (GB) 2022-06-29 — — EP disclosed
CN-114555604-A Pharmaceutical compounds 瑞威有限公司 2022-05-27 — — CN disclosed
WO-2021032992-A1 PHARMACEUTICAL COMPOUNDS ReViral Limited (GB) 2021-02-25 — — WO disclosed
WO-2021032992-A1 PHARMACEUTICAL COMPOUNDS ReViral Limited (GB) 2021-02-25 — — 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 (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-12227507-B2 Pharmaceutical compounds CHRNA6, GABRA6, CHRNA7 NPC1 484/4885RAB9A 1472/4885KDM4E 4162/4885
US-11634425-B2 Pharmaceutical compounds GABRA6, CHRNA6, CNR1 NPC1 605/4885RAB9A 1284/4885KDM4E 3774/4885
US-20220306639-A1 PHARMACEUTICAL COMPOUNDS CHRNA6, GABRA6, CHRNA7 NPC1 484/4885RAB9A 1472/4885KDM4E 4162/4885
US-20220324873-A1 PHARMACEUTICAL COMPOUNDS GABRA6, CNR1, CHRNA6 NPC1 547/4885RAB9A 1147/4885KDM4E 3752/4885

“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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