SCHEMBL6600993

SCHEMBL6600993

CC1(c2cccc(C#N)c2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.56
OPRL1 P41146 3/20 0.49
CHRM3 P20309 1/20 0.48
POLB P06746 1/20 0.48
MCHR1 Q99705 2/20 0.47
ARRB1 P49407 1/20 0.47
FAAH O00519 1/20 0.46
ABCB1 P08183 1/20 0.46
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
HIF1A Q16665 2/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP3A4 P08684 2/20 0.45
USP2 O75604 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3252230 0.82 OPRL1 (0.65) OPRM1OPRL1CHRM3POLBMEN1
SCHEMBL5765449 0.81 OPRM1 (0.64) OPRM1
SCHEMBL5765452 0.81 OPRM1 (0.64) OPRM1
SCHEMBL27550808 0.80 OPRL1 (0.63) OPRM1OPRL1CHRM3POLBMEN1
Hydrochloric Acid SCHEMBL6160179 0.80 POLB (0.66) OPRM1OPRL1CHRM3POLBMEN1
SCHEMBL6601752 0.80 OPRD1 (0.62) OPRM1OPRL1POLBALDH1A1HSD17B10
SCHEMBL15014619 0.80 FAAH (0.51) OPRM1CHRM3MCHR1FAAHALDH1A1
SCHEMBL12424268 0.76 TACR1 (0.48) OPRM1CHRM3MCHR1FAAHALDH1A1
SCHEMBL7864097 0.76 SLC6A2 (0.47) DRD3DRD2
SCHEMBL19567192 0.75 TACR1 (0.47) CHRM3FAAHALDH1A1USP2DRD4

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 OPRM1 9/4885OPRL1 5/4885CHRM3 367/4885

“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.