SCHEMBL19741741

SCHEMBL19741741

c1cn2c(n1)CCNCCC2

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.37
ADRA1A P35348 2/20 0.35
CHRNB2 P17787 4/20 0.34
CHRNA4 P43681 4/20 0.34
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 4/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADRA1B P35368 1/20 0.32
CXCR4 P61073 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
SCHEMBL4073713 0.89 HRH1 (0.38) HRH1ADRA1AHTR2AHTR2CHTR2B
SCHEMBL4068518 0.83 CHRNB2 (0.32) HRH1ADRA1ACHRNB2CHRNA4HTR2A
SCHEMBL667621 0.80
SCHEMBL712267 0.80
SCHEMBL238844 0.78
SCHEMBL4067122 0.77 ADRA1A (0.37) HRH1ADRA1A
SCHEMBL23335459 0.76 PDPK1 (0.45) ADRA1AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5598004 0.76 PDPK1 (0.45) ADRA1AKDM4EALDH1A1
SCHEMBL12604725 0.76 PDPK1 (0.45) ADRA1AKDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL29261101 0.76 PDPK1 (0.45) ADRA1AKDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 US 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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM3A, KDM1A HRH1 258/4885ADRA1A 4249/4885CHRNB2 2647/4885

“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.