SCHEMBL3218288

SCHEMBL3218288

C1CCC(CCN2CCCC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.58
ADRA2C P18825 1/20 0.58
CYP1A2 P05177 1/20 0.57
HRH3 Q9Y5N1 3/20 0.46
SIGMAR1 Q99720 4/20 0.43
LTA4H P09960 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL12945 1.00 CHRM5 (0.58) CHRM5ADRA2CCYP1A2HRH3SIGMAR1
SCHEMBL30340999 1.00 CHRM5 (0.58) CHRM5ADRA2CCYP1A2HRH3SIGMAR1
SCHEMBL10949210 0.97 CHRM5 (0.54) CHRM5ADRA2CCYP1A2HRH3SIGMAR1
SCHEMBL11850078 0.92 CYP1A2 (0.48) CHRM5ADRA2CCYP1A2SIGMAR1CHRM3
SCHEMBL10153844 0.92 CYP1A2 (0.54) CHRM5ADRA2CCYP1A2HRH3
SCHEMBL8587237 0.90 CYP1A2 (0.50) CHRM5ADRA2CCYP1A2HRH3
SCHEMBL24146230 0.86 CYP1A2 (0.44) CHRM5ADRA2CCYP1A2SIGMAR1CHRM3
SCHEMBL30115021 0.86 HRH3 (0.54) CHRM5ADRA2CCYP1A2HRH3SIGMAR1
SCHEMBL30115019 0.86 HRH3 (0.54) CHRM5ADRA2CCYP1A2HRH3SIGMAR1
SCHEMBL7166922 0.85 CYP1A2 (0.44) CHRM5ADRA2CCYP1A2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061779-B1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INT (DE) 2013-11-06 EP disclosed
EP-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP disclosed
US-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2010-03-11 US disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION MKI67, CCNI, CDK2 CHRM5 4719/4885ADRA2C 3659/4885CYP1A2 379/4885

“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.