SCHEMBL9980224

SCHEMBL9980224

CC(C)[C@@H]1Cc2ccccc2N1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCG P05129 1/20 0.47
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 3/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
NOTUM Q6P988 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL13523574 1.00 PRKCG (0.47) PRKCGPRKCAPRKCDDRD2DRD4
SCHEMBL21700185 0.85 PRKCG (0.45) PRKCGPRKCAPRKCDHTR2AHTR2C
SCHEMBL14471176 0.81 MTNR1A (0.43) PRKCGPRKCAPRKCDOPRM1OPRK1
SCHEMBL4737682 0.79 DRD2 (0.40) PRKCGPRKCAPRKCDDRD2DRD4
SCHEMBL28253302 0.79 DRD2 (0.40) PRKCGPRKCAPRKCDDRD2DRD4
SCHEMBL2705982 0.79 DRD2 (0.40) PRKCGPRKCAPRKCDDRD2DRD4
SCHEMBL18899034 0.77 DRD2 (0.38) PRKCGPRKCAPRKCDDRD2DRD4
SCHEMBL18648747 0.77 PRKCG (0.44) PRKCGPRKCAPRKCDHTR2AHTR2C
SCHEMBL18648462 0.76 HTR2A (0.42) PRKCGPRKCAPRKCDHTR2AHTR2C
SCHEMBL10346073 0.75 HTR2C (0.47) HTR2AHTR2CHTR2BKCNH2OPRM1

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
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRKCG 3422/4885PRKCA 3028/4885PRKCD 3794/4885

“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.