SCHEMBL13137652

SCHEMBL13137652

CCCNC(C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP2D6 P10635 4/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 4/20 0.41
CYP1A2 P05177 1/20 0.41
SLC6A4 P31645 10/20 0.39
SLC6A2 P23975 10/20 0.39
SLC6A3 Q01959 8/20 0.39
KCNH2 Q12809 5/20 0.39
CASR P41180 2/20 0.39
HTR1A P08908 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HRH2 P25021 1/20 0.38

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
SCHEMBL12849095 0.87 ALDH1A1 (0.54) ALDH1A1LMNAHTTSMN1; SMN2CYP2D6
SCHEMBL12849015 0.87 ALDH1A1 (0.54) ALDH1A1LMNAHTTSMN1; SMN2CYP2D6
SCHEMBL8443448 0.81 HTR1A (0.48) ALDH1A1LMNAHTTSMN1; SMN2CYP2D6
SCHEMBL4668006 0.81 ALDH1A1 (0.53) ALDH1A1LMNAHTTSMN1; SMN2CYP2D6
SCHEMBL4868499 0.80 ALDH1A1 (0.51) ALDH1A1LMNAHTTSMN1; SMN2CYP2D6
SCHEMBL13137654 0.79 CASR (0.43) ALDH1A1LMNAHTTSMN1; SMN2CYP2D6
SCHEMBL9660672 0.78 SLC6A2 (0.70) ALDH1A1LMNAHTTSMN1; SMN2CYP2D6
SCHEMBL8207250 0.78 ALDH1A1 (0.56) ALDH1A1LMNAHTTSMN1; SMN2CYP2D6
SCHEMBL12812166 0.78 TP53 (0.40) ALDH1A1LMNAHTTSMN1; SMN2CYP2D6
SCHEMBL8751278 0.77 CYP2D6 (0.50) ALDH1A1LMNAHTTSMN1; SMN2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816408-B2 Calcium receptor active compounds NPS PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20090176993-A1 Calcium receptor active compounds NPS PHARMACEUTICALS, INC. 2009-07-09 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-20090176993-A1 Calcium receptor active compounds CASR, CALCR, CACNA1E ALDH1A1 3327/4885LMNA 4836/4885HTT 3454/4885

“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.