SCHEMBL5655551

SCHEMBL5655551

Nc1ccc(CCCn2ccnc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.71
▸ HMOX1 P09601 1/20 0.65
▸ CYP11B1 P15538 2/20 0.65
▸ CYP11B2 P19099 2/20 0.65
▸ TBXAS1 P24557 4/20 0.64
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL4316370 0.90 CYP11B1 (0.69) CYP19A1HMOX1CYP11B1CYP11B2TBXAS1
SCHEMBL12045347 0.86 HMOX1 (0.84) CYP19A1HMOX1TBXAS1KMT2A
Hydrochloric Acid SCHEMBL9996059 0.84 HMOX1 (0.81) CYP19A1HMOX1TBXAS1KMT2A
SCHEMBL19390253 0.83 CYP19A1 (0.71) CYP19A1HMOX1CYP11B1CYP11B2TBXAS1
SCHEMBL11404089 0.83 HMOX1 (0.91) CYP19A1HMOX1CYP11B1CYP11B2TBXAS1
SCHEMBL2749075 0.83 CYP19A1 (0.71) CYP19A1HMOX1TBXAS1
SCHEMBL20570009 0.83 CYP19A1 (0.71) CYP19A1HMOX1CYP11B1CYP11B2TBXAS1
SCHEMBL3160306 0.83 CYP19A1 (0.71) CYP19A1HMOX1CYP11B1CYP11B2TBXAS1
Hydrochloric Acid SCHEMBL411704 0.81 CYP19A1 (0.69) CYP19A1HMOX1CYP11B1CYP11B2TBXAS1
SCHEMBL10492248 0.80 CYP19A1 (0.67) CYP19A1HMOX1TBXAS1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 — — US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 — — US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 — — EP disclosed
US-4006243-A FUNGICIDE, BACTERICIDE, YEAST SCHERING AKTIENGESELLSCHAFT (DT) 1977-02-01 — — 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 (1 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 CYP19A1 86/4885HMOX1 1247/4885CYP11B1 51/4885

“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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