SCHEMBL5657907

SCHEMBL5657907

CCCn1ccnc1CN(C)c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.39
MAPT P10636 2/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PSMD14 O00487 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
GFER P55789 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5657590 0.84 RAB9A (0.40) TLR8MAPTALDH1A1MAPK1TDP1
SCHEMBL5656670 0.80 MAPT (0.50) MAPTALDH1A1CYP3A4MAPK1TDP1
SCHEMBL5656587 0.79 NPC1 (0.43) TLR8ALDH1A1GFERADORA2AADORA1
SCHEMBL5655800 0.79 ALDH1A1 (0.38) TLR8MAPTALDH1A1CYP3A4MAPK1
SCHEMBL5656313 0.77 MAPT (0.40) TLR8MAPTALDH1A1ADORA2AADORA1
SCHEMBL5653814 0.74 TLR8 (0.39) TLR8MAPTALDH1A1CYP3A4ADORA2A
SCHEMBL7908694 0.72 ALDH1A1 (0.53) TLR8MAPTALDH1A1CYP3A4TDP1
SCHEMBL5655641 0.72 ALPG (0.42) TLR8MAPTALDH1A1CYP3A4TSHR
SCHEMBL22710048 0.71 TLR8 (0.46) TLR8ALDH1A1TSHRADORA2AADORA1
SCHEMBL10261744 0.71 ALDH1A1 (0.39) TLR8MAPTALDH1A1L3MBTL1ADORA2A

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 TLR8 4213/4885MAPT 3095/4885ALDH1A1 519/4885

“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.