SCHEMBL6602373

SCHEMBL6602373

CCN1CCC(O)(c2cccc(OC(C)C)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
OPRL1 P41146 7/20 0.49
OPRM1 P35372 6/20 0.49
OPRD1 P41143 5/20 0.49
OPRK1 P41145 4/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
ABCB1 P08183 2/20 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
SCHEMBL6602648 0.85 OPRD1 (0.45) ALDH1A1OPRM1OPRD1OPRK1KMT2A
SCHEMBL16915237 0.85 OPRD1 (0.52) ALDH1A1OPRL1OPRM1OPRD1OPRK1
SCHEMBL8046465 0.85 ALDH1A1 (0.67) ALDH1A1OPRL1OPRM1OPRD1OPRK1
SCHEMBL6654390 0.82 SOAT1 (0.44) ALDH1A1OPRM1OPRD1OPRK1KMT2A
SCHEMBL4382016 0.76 DRD2 (0.56) ALDH1A1OPRL1OPRM1OPRD1OPRK1
SCHEMBL13788629 0.76 OPRL1 (0.45) ALDH1A1OPRL1OPRM1OPRD1OPRK1
SCHEMBL8213555 0.75 OPRL1 (0.67) OPRL1OPRM1OPRD1OPRK1KMT2A
SCHEMBL11451293 0.74 OPRM1 (0.36) OPRM1SMN1; SMN2
Hydrochloric Acid SCHEMBL29777982 0.74 POLB (0.68) OPRL1OPRM1OPRD1OPRK1KMT2A
SCHEMBL8397903 0.73 KDM4E (0.61) ALDH1A1OPRL1OPRM1KMT2A

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 9 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
EP-1077940-B1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER (US) 2004-07-14 EP disclosed
US-6750231-B2 SKIN DISORDERS; GASTROINTESTINAL DISORDERS PFIZER INC 2004-06-15 US disclosed
US-6610711-B2 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-08-26 US disclosed
US-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-04-24 US disclosed
US-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus GIBSON STEPHEN PAUL (GB) 2003-01-02 US disclosed
EP-1077940-A1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 2001-02-28 EP disclosed
EP-1072601-A2 4-arylpiperidine derivatives for the treatment of pruritus PFIZER INC. (US) 2001-01-31 EP disclosed
WO-1999059971-A1 NOVEL 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 1999-11-25 WO 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-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus HRH2, HRH4, HRH1 ALDH1A1 895/4885OPRL1 5/4885OPRM1 9/4885
US-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses HRH2, HRH4, HRH1 ALDH1A1 857/4885OPRL1 78/4885OPRM1 409/4885

“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.