SCHEMBL5656313

SCHEMBL5656313

CCCn1ccnc1N(C)Cc1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
TLR8 Q9NR97 2/20 0.39
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA2A P29274 1/20 0.33
CXCR4 P61073 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KEAP1 Q14145 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
ADORA1 P30542 1/20 0.31

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 0.82 RAB9A (0.40) MAPTTLR8LMNAPKMSMN1; SMN2
SCHEMBL5659388 0.80 CRHBP (0.49) MAPTLMNAALDH1A1POLBKMT2A
SCHEMBL5655112 0.79 MAPT (0.39) MAPTTLR8LMNAPKMSMN1; SMN2
SCHEMBL5657907 0.77 TLR8 (0.39) MAPTTLR8ALDH1A1POLBKMT2A
SCHEMBL5656587 0.74 NPC1 (0.43) TLR8SMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL19984377 0.72 KMT2A (0.42) MAPTTLR8LMNASMN1; SMN2ALDH1A1
SCHEMBL5654622 0.71 ESR1 (0.45) TLR8LMNAPKMSMN1; SMN2ALDH1A1
SCHEMBL5655500 0.69 TLR8 (0.37) TLR8PKMSMN1; SMN2ADORA2AADORA1
SCHEMBL5657337 0.68 TLR8 (0.35) TLR8SMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL5657334 0.68 TLR8 (0.35) TLR8SMN1; SMN2ALDH1A1POLBKMT2A

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 MAPT 3095/4885TLR8 4213/4885LMNA 753/4885

“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.