SCHEMBL5657590

SCHEMBL5657590

CCCn1ccnc1CN(C)Cc1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CXCR4 P61073 1/20 0.39
MAPT P10636 3/20 0.39
TLR8 Q9NR97 2/20 0.38
KMT2A Q03164 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
KDM4E B2RXH2 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
JAK2 O60674 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 4/20 0.35
GAA P10253 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
SCHEMBL5657907 0.84 TLR8 (0.39) RAB9AL3MBTL1MAPTTLR8KMT2A
SCHEMBL5656313 0.82 MAPT (0.40) CXCR4MAPTTLR8KMT2ASMN1; SMN2
SCHEMBL5656587 0.81 NPC1 (0.43) RAB9ATLR8KMT2ASMN1; SMN2NPC1
SCHEMBL13287470 0.76 RAB9A (0.41) RAB9AL3MBTL1MAPTTLR8KMT2A
SCHEMBL7908694 0.74 ALDH1A1 (0.53) L3MBTL1MAPTTLR8KMT2ASMN1; SMN2
SCHEMBL5653814 0.73 TLR8 (0.39) RAB9AMAPTTLR8KMT2ANPSR1
SCHEMBL16213764 0.72 RAB9A (0.41) RAB9AL3MBTL1MAPTKMT2ASMN1; SMN2
SCHEMBL5655641 0.71 ALPG (0.42) RAB9AMAPTTLR8KMT2ALMNA
SCHEMBL22710048 0.70 TLR8 (0.46) TLR8KMT2ATSHRALDH1A1
SCHEMBL2348799 0.70 CYP3A4 (0.55) MAPTKMT2ASMN1; SMN2KDM4ELMNA

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 RAB9A 2546/4885L3MBTL1 2184/4885CXCR4 1562/4885

“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.