SCHEMBL7200002

SCHEMBL7200002

CNC1=Cc2c(ccc3c2OCCO3)OC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.33
ADRA2C P18825 2/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
ADRA2B P18089 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MTNR1A P48039 4/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BAZ2B Q9UIF8 1/20 0.30

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
SCHEMBL7199643 0.71 KDM4E (0.34) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL7201840 0.70 ITGB2 (0.33) HTT
SCHEMBL7201190 0.70 ITGB2 (0.33) MTNR1AKDM4EALDH1A1HPGDHTT
SCHEMBL7199997 0.70 ITGB2 (0.33) HTT
SCHEMBL7206601 0.65 MTNR1A (0.56) CYP2C19NPSR1MTNR1AKDM4EALDH1A1
SCHEMBL10309425 0.63 ADRA2A (0.41) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL13015516 0.63 ADRA2A (0.35) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL28346156 0.63 ADRA2A (0.35) ADRA2AADRA2CADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL28589036 0.62 ADRA2A (0.34) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL8306057 0.62 MTNR1A (0.45) MTNR1AKDM4EHTT

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-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 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-20020052400-A1 Substituted heterocyclic compounds MTNR1A, MTNR1B, CBR1 ADRA2A 395/4885ADRA2C 199/4885ADRA1D 411/4885

“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.