SCHEMBL6316085

SCHEMBL6316085

COC(=O)N1CCN(CCCl)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 4/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL11337882 0.83 ALDH1A1 (0.62) HRH2HRH1ALDH1A1SMN1; SMN2HTT
SCHEMBL9242962 0.83 ALDH1A1 (0.62) HRH2HRH1ALDH1A1SMN1; SMN2HTT
SCHEMBL12156753 0.82 HRH2 (0.49) CYP2D6HRH2HRH1ALDH1A1HTT
SCHEMBL20097555 0.82 USP2 (0.45) CYP2D6HRH2HRH1ALDH1A1POLB
SCHEMBL10534519 0.82 HSD11B1 (0.45) CYP2D6HRH2HRH1ALDH1A1HTT
Hydrochloric Acid SCHEMBL10760926 0.81 ALDH1A1 (0.61) HRH2HRH1ALDH1A1SMN1; SMN2HTT
SCHEMBL14242965 0.81 ALOX15 (0.50) CYP2D6HRH2HRH1ALDH1A1HTT
SCHEMBL771744 0.81 HRH2 (0.45) CYP2D6HRH2HRH1ALDH1A1HTT
SCHEMBL39755 0.80 USP2 (0.50) ALDH1A1SMN1; SMN2HTTPOLBMAPT
SCHEMBL12846943 0.79 HRH2 (0.56) CYP2D6HRH2HRH1ALDH1A1USP2

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-20050004163-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-06 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-20050004163-A1 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives OPRD1, OPRM1, OPRK1 CYP2D6 427/4885HRH2 361/4885HRH1 732/4885

“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.