SCHEMBL4397873

SCHEMBL4397873

O=C(C1CC1c1ccc(Br)cc1)N1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.64
SIGMAR1 Q99720 3/20 0.49

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
SCHEMBL4397875 1.00 HRH3 (0.64) HRH3SIGMAR1
SCHEMBL776337 0.86 HRH3 (0.72) HRH3SIGMAR1
SCHEMBL11084414 0.85 SIGMAR1 (0.67) HRH3SIGMAR1
SCHEMBL775581 0.85 HRH3 (0.71) HRH3SIGMAR1
SCHEMBL11084417 0.85 SIGMAR1 (0.67) HRH3SIGMAR1
SCHEMBL776259 0.82 HRH3 (0.64) HRH3SIGMAR1
SCHEMBL4388673 0.82 CNR1 (0.56)
SCHEMBL19403634 0.82 CNR1 (0.56)
SCHEMBL19403770 0.82 CNR1 (0.56)
SCHEMBL4388676 0.82 CNR1 (0.56)

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-20090247499-A1 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-10-01 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-20090247499-A1 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, FAAH HRH3 233/4885SIGMAR1 242/4885

“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.