SCHEMBL6027110

SCHEMBL6027110

N#CC1(c2ccccc2)CCN(C(=O)c2ncc(-c3ccc(Cl)cc3)c(-c3ccc(Br)cn3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ F11 P03951 5/20 0.38
▸ SPR P35270 3/20 0.38
▸ CCKAR P32238 1/20 0.36

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
SCHEMBL6024749 0.84 CNR1 (0.47) CNR1ALDH1A1CA12CA1CA2
SCHEMBL6025464 0.79 F11 (0.44) CNR1ALDH1A1CA12CA1CA2
SCHEMBL6025849 0.75 KMO (0.47) ALDH1A1
SCHEMBL6025253 0.69 CNR1 (0.48) CNR1CA12CA1CA2CA9
SCHEMBL6025637 0.68 CNR1 (0.53) CNR1CCKAR
SCHEMBL5113110 0.67 CNR1 (0.51) CNR1ALDH1A1CA12CA1CA2
SCHEMBL11602608 0.66 CHRM4 (0.44) CNR1CA12CA1CA2CA9
SCHEMBL23884905 0.65 F11 (0.62) CNR1ALDH1A1CA12CA1CA2
SCHEMBL8161869 0.65 CA12 (0.72) CA12CA1CA2CA9CA7
SCHEMBL9954295 0.65 ALDH1A1 (0.44) CNR1ALDH1A1CA12CA1CA2

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
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-12-23 — — US claimed
EP-1638570-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2006-03-29 — — EP disclosed
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-12-23 — — US disclosed
WO-2004110453-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-12-23 — — 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 (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-20040259887-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 CNR1 1/4885ALDH1A1 1683/4885CA12 3517/4885

“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.

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