SCHEMBL3010793

SCHEMBL3010793

CN(C/C=C/c1ccc(Cl)cc1)Cc1ccccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
NR1I2 O75469 1/20 0.52
DRD2 P14416 1/20 0.52
ADRA2C P18825 1/20 0.52
CNR1 P21554 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2A P28223 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRK1 P41145 1/20 0.52
SLC6A3 Q01959 1/20 0.52
EBP Q15125 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 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
SCHEMBL11303598 0.81 CYP2D6 (0.80) KCNH2CYP1A2CYP2D6CYP2C19NR1I2
SCHEMBL11303594 0.81 CYP2D6 (0.80) KCNH2CYP1A2CYP2D6CYP2C19NR1I2
SCHEMBL11303599 0.81 CYP2D6 (0.80) KCNH2CYP1A2CYP2D6CYP2C19NR1I2
SCHEMBL6711976 0.80 NAMPT (0.53) KCNH2CYP1A2CYP2D6CYP2C19NR1I2
SCHEMBL6711978 0.80 NAMPT (0.53) KCNH2CYP1A2CYP2D6CYP2C19NR1I2
SCHEMBL20208926 0.76 CYP1A2 (0.77) KCNH2CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL19249594 0.75 KCNH2 (0.46) KCNH2CYP1A2CYP2D6CYP2C19NR1I2
SCHEMBL11470018 0.73 SLC6A2 (0.46) KCNH2CYP1A2CYP2D6CYP2C19NR1I2
SCHEMBL10474863 0.71 KCNH2 (0.56) KCNH2CYP1A2LMNAHTTSMN1; SMN2
SCHEMBL23374065 0.69 KDR (1.00) LMNAKMT2AKDRSMN1; SMN2

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-8188070-B2 Method of treating neurological diseases and disorders THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-05-29 US disclosed
US-20100197661-A1 Method of Treating Neurological Diseases and Disorders DREYFUSS GIDEON 2010-08-05 US disclosed
US-20060135509-A1 Method of treating neurological diseases and disorders THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2006-06-22 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 (2 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-20100197661-A1 Method of Treating Neurological Diseases and Disorders SMN1; SMN2, CLN6, PMP22 KCNH2 2577/4885CYP1A2 4361/4885CYP2D6 4396/4885
US-20060135509-A1 Method of treating neurological diseases and disorders SMN1; SMN2, CLN6, PMP22 KCNH2 2577/4885CYP1A2 4361/4885CYP2D6 4396/4885

“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.