SCHEMBL9921297

SCHEMBL9921297

O[C@H]1CCCN1CCCOc1nn(Cc2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.49
ADRA1A P35348 6/20 0.47
KCNH2 Q12809 4/20 0.47
CYP2D6 P10635 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GUCY1B2 O75343 1/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
GUCY1A2 P33402 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GUCY1A1 Q02108 1/20 0.47
GUCY1B1 Q02153 1/20 0.47

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
SCHEMBL9917454 0.89 HRH3 (0.49) HRH3ADRA1AKCNH2CYP2D6KDM4E
SCHEMBL9917446 0.89 HRH3 (0.49) HRH3ADRA1AKCNH2CYP2D6KDM4E
SCHEMBL9917502 0.88 HRH3 (0.62) HRH3ADRA1AKCNH2CYP2D6KDM4E
SCHEMBL9917448 0.88 HRH3 (0.62) HRH3ADRA1AKCNH2CYP2D6KDM4E
SCHEMBL13186710 0.87 HRH3 (0.49) HRH3ADRA1AKCNH2CYP2D6KDM4E
SCHEMBL13186709 0.87 HRH3 (0.49) HRH3ADRA1AKCNH2CYP2D6KDM4E
SCHEMBL9917458 0.87 HRH3 (0.52) HRH3ADRA1AKCNH2CYP2D6KDM4E
SCHEMBL9917469 0.87 HRH3 (0.48) HRH3ADRA1AKCNH2CYP2D6KDM4E
SCHEMBL9917513 0.87 HRH3 (0.51) HRH3ADRA1AKCNH2CYP2D6KDM4E
SCHEMBL9917497 0.86 HRH3 (0.47) HRH3ADRA1AKCNH2CYP2D6KDM4E

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-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-06-14 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-20120148534-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION EIF2AK2, NSUN3, NSUN2 HRH3 4193/4885ADRA1A 4433/4885KCNH2 4580/4885

“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.