SCHEMBL14442995

SCHEMBL14442995

CC(C)N[C@H](C)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
ADRA1A P35348 2/20 0.55
OPRK1 P41145 2/20 0.55
TSHR P16473 2/20 0.55
LMNA P02545 1/20 0.55
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2A P28223 1/20 0.55
OPRM1 P35372 1/20 0.55
DRD3 P35462 1/20 0.55
HTR2B P41595 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KCNH2 Q12809 1/20 0.55
CYP3A4 P08684 1/20 0.55

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
SCHEMBL14442996 1.00 CYP1A2 (0.55) CYP1A2CYP2C19ADRA1AOPRK1TSHR
SCHEMBL13996935 1.00 CYP1A2 (0.55) CYP1A2CYP2C19ADRA1AOPRK1TSHR
Benzylamine SCHEMBL5950282 0.84 MAOA (0.47) CYP1A2CYP2C19ADRA1AOPRK1TSHR
SCHEMBL20847996 0.82 SIGMAR1 (0.68) CYP1A2CYP2C19ADRA1AOPRK1TSHR
SCHEMBL5685898 0.82 SIGMAR1 (0.68) CYP1A2CYP2C19ADRA1AOPRK1TSHR
SCHEMBL5685881 0.82 SIGMAR1 (0.68) CYP1A2CYP2C19ADRA1AOPRK1TSHR
SCHEMBL10526089 0.81 ADRA1A (0.57) CYP1A2CYP2C19ADRA1AOPRK1TSHR
SCHEMBL10523532 0.81 ADRA1A (0.57) CYP1A2CYP2C19ADRA1AOPRK1TSHR
SCHEMBL13981594 0.81 ALDH1A1 (0.56) CYP1A2CYP2C19ADRA1AOPRK1TSHR
SCHEMBL178505 0.81 TAAR1 (0.63) CYP1A2CYP2C19OPRK1TSHRKMT2A

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-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 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-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 CYP1A2 1463/4885CYP2C19 902/4885ADRA1A 398/4885

“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.