SCHEMBL21025328

SCHEMBL21025328

Cn1cccc1C1OCC(C)(C)CO1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SOAT1 P35610 1/20 0.36
BACE1 P56817 1/20 0.34
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL12619948 0.79 MEN1 (0.35) MEN1KMT2AHTTBACE1KDM4E
SCHEMBL10975587 0.71
SCHEMBL24248562 0.70 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9ASOAT1
SCHEMBL18119745 0.69 SMN1; SMN2 (0.54) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL18119744 0.68 SMN1; SMN2 (0.62) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL8608558 0.67 MEN1 (0.69) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL18527253 0.66
SCHEMBL19514190 0.65 NPC1 (0.42) MEN1KMT2AHTTSMN1; SMN2NPC1
SCHEMBL24022680 0.65 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL11402954 0.64 QDPR (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3453707-B1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2022-02-16 EP disclosed
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-06-02 US disclosed
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-05-23 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 (2 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-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof TLR8, TLR1, TLR5 MEN1 2449/4885KMT2A 751/4885HTT 4512/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 MEN1 2449/4885KMT2A 751/4885HTT 4512/4885

“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.