SCHEMBL6603040

SCHEMBL6603040

CC1(c2cccc(-c3nc[nH]n3)c2)CCN(CCCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.46
KCNA3 P22001 1/20 0.46
OPRM1 P35372 3/20 0.43
OPRD1 P41143 2/20 0.43
FAAH O00519 1/20 0.42
OPRK1 P41145 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
EBP Q15125 2/20 0.40
TMEM97 Q5BJF2 1/20 0.40

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
SCHEMBL6603218 0.88 DRD2 (0.47) SIGMAR1OPRM1OPRK1MEN1ALDH1A1
SCHEMBL6603813 0.86 DRD3 (0.42) SIGMAR1OPRM1
SCHEMBL6605765 0.67 DRD2 (0.47) SIGMAR1OPRM1MEN1ALDH1A1LMNA
SCHEMBL6602182 0.67 DRD2 (0.45) OPRM1MEN1ALDH1A1KMT2A
SCHEMBL6607339 0.65 DRD3 (0.42) SIGMAR1OPRM1
SCHEMBL8096481 0.65 SIGMAR1 (1.00) SIGMAR1KCNA3OPRM1
SCHEMBL7311113 0.65 KCNA3 (0.71) SIGMAR1KCNA3OPRM1
SCHEMBL9030344 0.64 HRH3 (0.55) SIGMAR1
Hydrochloric Acid SCHEMBL27789224 0.64 SIGMAR1 (0.51) SIGMAR1OPRM1OPRD1OPRK1MEN1
Hydrochloric Acid SCHEMBL2587759 0.64 HTT (0.54) SIGMAR1KCNA3OPRM1OPRD1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1072601-B1 4-arylpiperidine derivatives for the treatment of pruritus PFIZER (US) 2004-09-08 EP disclosed
US-6750231-B2 SKIN DISORDERS; GASTROINTESTINAL DISORDERS PFIZER INC 2004-06-15 US disclosed
US-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus GIBSON STEPHEN PAUL (GB) 2003-01-02 US disclosed
EP-1072601-A2 4-arylpiperidine derivatives for the treatment of pruritus PFIZER INC. (US) 2001-01-31 EP 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-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus HRH2, HRH4, HRH1 SIGMAR1 51/4885KCNA3 1114/4885OPRM1 9/4885

“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.