SCHEMBL5655461

SCHEMBL5655461

CCCn1cnnc1N(C)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.48
CRHR2 Q13324 2/20 0.48
PYCR1 P32322 1/20 0.41
CYP19A1 P11511 3/20 0.41
MAPT P10636 4/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 3/20 0.40
KCNH2 Q12809 4/20 0.38
SIGMAR1 Q99720 1/20 0.37
KCNJ1 P48048 2/20 0.37
SLC29A1 Q99808 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5659388 0.81 CRHBP (0.49) CRHBPCRHR2PYCR1CYP19A1MAPT
SCHEMBL5657335 0.78 MAPT (0.49) CRHBPCRHR2CYP19A1MAPTPOLB
SCHEMBL5656670 0.69 MAPT (0.50) CRHBPCRHR2PYCR1CYP19A1MAPT
SCHEMBL3154646 0.69 PYCR1 (0.66) CRHBPCRHR2PYCR1MAPTCYP1A2
SCHEMBL5657333 0.68 MAPT (0.41) MAPTPOLBNPSR1KMT2AALDH1A1
SCHEMBL5278563 0.68 ALDH1A1 (0.36) MAPTKMT2AALDH1A1HTT
SCHEMBL5657031 0.68 MAPT (0.48) MAPTPOLBKMT2AALDH1A1MEN1
SCHEMBL3157181 0.67 CYP2C19 (0.59) CRHBPCRHR2PYCR1MAPTCYP1A2
SCHEMBL3153458 0.67 CRHBP (0.64) CRHBPCRHR2PYCR1MAPTPOLB
SCHEMBL3156616 0.67 KCNH2 (0.62) CRHBPCRHR2PYCR1MAPTKCNH2

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-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

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 CRHBP 4575/4885CRHR2 1762/4885PYCR1 1079/4885

“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.