SCHEMBL13063397

SCHEMBL13063397

CN1CC(c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.58
HTR2C P28335 3/20 0.57
HTR2B P41595 2/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
DRD3 P35462 1/20 0.48
KDM1A O60341 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
DRD4 P21917 1/20 0.45
GRM2 Q14416 1/20 0.45
HTR2A P28223 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL9230752 0.87 DRD2 (0.64) DRD2HTR2CHTR2BCHRM2HTR1A
SCHEMBL11393853 0.85 DRD2 (0.59) DRD2HTR2CDRD3
Hydrochloric Acid SCHEMBL11397089 0.84 DRD2 (0.58) DRD2HTR2CDRD3
SCHEMBL6926283 0.83 DRD2 (0.72) DRD2HTR2CHTR2BCHRM2HTR1A
SCHEMBL13018937 0.82 DRD3 (0.61) DRD2HTR2CHTR2BCHRM2HTR1A
SCHEMBL14221731 0.80 HTR2C (0.50) DRD2HTR2CHTR2BCHRM2HTR1A
SCHEMBL1065758 0.80 HTR2C (0.77) DRD2HTR2CHTR2BHTR1AKDM1A
SCHEMBL29728437 0.79 BRD4 (0.60) DRD2HTR2CGRM2
SCHEMBL16799733 0.79 BRD4 (0.60) DRD2HTR2CGRM2
SCHEMBL25636100 0.79 DRD2 (0.51) DRD2HTR2CHTR2BCHRM2HTR1A

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-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 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-20100331298-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 DRD2 1453/4885HTR2C 509/4885HTR2B 398/4885

“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.