SCHEMBL5657308

SCHEMBL5657308

CCCCn1cnnc1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMPD2 Q01433 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
ADORA2A P29274 2/20 0.35
AMPD1 P23109 2/20 0.34
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
TYR P14679 1/20 0.33
TLR8 Q9NR97 2/20 0.33
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRND Q07001 1/20 0.32

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
SCHEMBL5656633 0.89 ADORA2A (0.32) ADORA2ATYR
SCHEMBL5283248 0.85 ALDH1A1 (0.40) AMPD2ALDH1A1KMT2APOLBLMNA
SCHEMBL5274280 0.83 ALDH1A1 (0.39) AMPD2ALDH1A1KMT2APOLBLMNA
SCHEMBL5278999 0.83 ALDH1A1 (0.39) AMPD2ALDH1A1KMT2APOLBLMNA
SCHEMBL5655639 0.80
Hydrochloric Acid SCHEMBL5654434 0.80 ALDH1A1 (0.37) AMPD2ALDH1A1KMT2APOLBLMNA
SCHEMBL5278340 0.79 ALDH1A1 (0.36) AMPD2ALDH1A1KMT2APOLBLMNA
SCHEMBL5282719 0.79 ALDH1A1 (0.36) AMPD2ALDH1A1KMT2APOLBLMNA
SCHEMBL1083103 0.78 TLR8 (0.40) AMPD2ALDH1A1KMT2APOLBLMNA
SCHEMBL25241313 0.76 MEN1 (0.38) ALDH1A1KMT2APOLBLMNAADORA2A

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 AMPD2 2005/4885ALDH1A1 519/4885KMT2A 391/4885

“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.