SCHEMBL6322679

SCHEMBL6322679

COc1cccc(C2CC2CC=O)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.70
CHRM1 P11229 1/20 0.70
CHRM3 P20309 1/20 0.70
HTR2C P28335 4/20 0.67
HTR2A P28223 2/20 0.67
HTR2B P41595 2/20 0.67
SLC9A1 P19634 1/20 0.47
FFAR1 O14842 4/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KDM1A O60341 3/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
ALOX5 P09917 1/20 0.41

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
SCHEMBL10123174 0.85 CHRM2 (0.52) CHRM2CHRM1CHRM3HTR2CHTR2A
SCHEMBL9380891 0.82 CHRM2 (0.50) CHRM2CHRM1CHRM3HTR2CHTR2A
SCHEMBL23995531 0.81 HTR2C (0.74) CHRM2CHRM1CHRM3HTR2CHTR2A
SCHEMBL20205056 0.81 HTR2C (0.74) CHRM2CHRM1CHRM3HTR2CHTR2A
SCHEMBL6251810 0.81 HTR2C (0.61) CHRM2CHRM1CHRM3HTR2CHTR2A
SCHEMBL22334915 0.81 HTR2C (0.74) CHRM2CHRM1CHRM3HTR2CHTR2A
SCHEMBL6319621 0.81 HTR2A (0.65) CHRM2CHRM1CHRM3HTR2CHTR2A
SCHEMBL8097675 0.80 HTR2C (1.00) CHRM2CHRM1CHRM3HTR2CHTR2A
SCHEMBL8088821 0.80 HTR2C (0.72) CHRM2CHRM1CHRM3HTR2CHTR2A
SCHEMBL8097678 0.80 HTR2C (1.00) CHRM2CHRM1CHRM3HTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 US disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 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-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 CHRM2 983/4885CHRM1 766/4885CHRM3 385/4885

“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.