SCHEMBL14280462

SCHEMBL14280462

CC1CCCc2c(C=O)ccnc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
HRH3 Q9Y5N1 14/20 0.37
HRH2 P25021 8/20 0.37

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
Hydrochloric Acid SCHEMBL29142424 0.68 HRH3 (0.50) HRH3HRH2
SCHEMBL18807215 0.66
SCHEMBL16254268 0.65 HRH3 (0.35) HRH3HRH2
SCHEMBL8275168 0.65 HRH3 (0.35) HRH3HRH2
SCHEMBL24589696 0.65 HRH3 (0.40) HRH3HRH2
SCHEMBL16420396 0.65 HTR2C (0.39) HRH3HRH2
SCHEMBL12891529 0.65 CYP2D6 (0.43) HRH3
SCHEMBL12092558 0.65 CYP2D6 (0.43) HRH3
SCHEMBL18807211 0.65 HTR2C (0.39) HRH3HRH2
SCHEMBL12891525 0.65 CYP2D6 (0.43) HRH3

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-20080027011-A1 Homogeneous paste and gel formulations MERIAL LIMITED 2008-01-31 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-20080027011-A1 Homogeneous paste and gel formulations EPX, CAT, PEF1 CCR1 2693/4885CCR5 4427/4885CCR8 3864/4885

“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.