SCHEMBL9917436

SCHEMBL9917436

CCNCCCOc1nn(Cc2ccccc2)c2ccc(C)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.52
KDM4E B2RXH2 1/20 0.52
GUCY1B2 O75343 1/20 0.52
CYP1A2 P05177 1/20 0.52
CHRM2 P08172 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2D6 P10635 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
GUCY1A2 P33402 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRM1 P35372 1/20 0.52
SLC6A3 Q01959 1/20 0.52
GUCY1A1 Q02108 1/20 0.52
GUCY1B1 Q02153 1/20 0.52
KCNH2 Q12809 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52

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
SCHEMBL13186417 0.89 SLC6A4 (0.54) DRD3KDM4EGUCY1B2CYP1A2CHRM2
SCHEMBL9917395 0.82 HRH3 (0.77) DRD3KDM4EGUCY1B2CYP1A2CHRM2
SCHEMBL13552338 0.82 KDM4E (0.59) DRD3KDM4EGUCY1B2CYP1A2CHRM2
SCHEMBL9917402 0.81 KDM4E (0.67) DRD3KDM4EGUCY1B2CYP1A2CHRM2
SCHEMBL9917399 0.80 HRH3 (0.51) DRD3KDM4EGUCY1B2CYP1A2CHRM2
SCHEMBL9917405 0.79 HRH3 (0.50) DRD3KDM4EGUCY1B2CYP1A2CHRM2
SCHEMBL9917398 0.78 CNR2 (0.50) DRD3KDM4EGUCY1B2CYP1A2CHRM2
SCHEMBL9917400 0.77 CACNB4 (0.50) DRD3KDM4EGUCY1B2CYP1A2CHRM2
SCHEMBL18025633 0.76 SLC6A4 (0.70) DRD3KDM4EGUCY1B2CYP1A2CHRM2
SCHEMBL15345011 0.73 L3MBTL1 (0.52) KDM4EPOLBCNR2ACHECNR1

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 DRD3 4836/4885KDM4E 925/4885GUCY1B2 1638/4885

“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.