SCHEMBL16723209

SCHEMBL16723209

CC(=O)N1c2ccc(C3CNCNC3)cc2N(C(=O)c2ccco2)C[C@@H]1C

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.67
▸ CHRNB2 P17787 2/20 0.43
▸ CHRNB4 P30926 2/20 0.43
▸ CHRNA3 P32297 2/20 0.43
▸ CHRNA7 P36544 2/20 0.43
▸ CHRNA4 P43681 2/20 0.43
▸ HTT P42858 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HPGD P15428 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
SCHEMBL21674980 0.89 BRD4 (0.73) BRD4HTTMAPTRAB9ANPC1
SCHEMBL16722565 0.89 BRD4 (0.73) BRD4HTTMAPTRAB9ANPC1
SCHEMBL16722957 0.89 BRD4 (0.64) BRD4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18067102 0.89 BRD4 (0.64) BRD4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL21532044 0.88 BRD4 (0.67) BRD4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL21674638 0.88 BRD4 (0.61) BRD4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17021591 0.87 BRD4 (0.62) BRD4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16723056 0.87 BRD4 (0.64) BRD4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16723013 0.84 BRD4 (0.63) BRD4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18067098 0.83 BRD4 (0.66) BRD4HTTMAPTRAB9ANPC1

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
US-20160257699-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2016-09-08 — — US disclosed
US-20160256458-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2016-09-08 — — US disclosed
WO-2015074081-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BAIR KENNETH W (US) 2015-05-21 — — 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 (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-20160256458-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885CHRNB2 2760/4885CHRNB4 2654/4885
US-20160257699-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885CHRNB2 2760/4885CHRNB4 2654/4885

“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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