SCHEMBL9050723

SCHEMBL9050723

Cc1ccc(C2(O)CCN(CCCC(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.83
ADRA1A P35348 3/20 0.68
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
HTR1A P08908 2/20 0.61
ADRA2A P08913 2/20 0.61
CYP2D6 P10635 2/20 0.61
CHRM1 P11229 2/20 0.61
ADRA2B P18089 2/20 0.61
ADRA2C P18825 2/20 0.61
CHRM3 P20309 2/20 0.61
SLC6A2 P23975 2/20 0.61
HTR2A P28223 2/20 0.61
SLC6A4 P31645 2/20 0.61
HRH1 P35367 2/20 0.61
OPRM1 P35372 2/20 0.61
DRD3 P35462 2/20 0.61
HTR2B P41595 2/20 0.61
SLC6A3 Q01959 2/20 0.61
KCNH2 Q12809 2/20 0.61

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
SCHEMBL20248952 0.94 DRD2 (0.88) DRD2ADRA1ACYP1A2CYP3A4HTR1A
SCHEMBL8986029 0.91 DRD2 (1.00) DRD2ADRA1ACYP1A2CYP3A4HTR1A
SCHEMBL9052699 0.88 DRD2 (0.80) DRD2ADRA1ACYP1A2CYP3A4HTR1A
SCHEMBL20248950 0.88 DRD2 (0.88) DRD2ADRA1ACYP1A2CYP3A4HTR1A
Moperone SCHEMBL34340 0.88 DRD2 (1.00) DRD2ADRA1ACYP1A2CYP3A4HTR1A
SCHEMBL20248954 0.88 DRD2 (0.79) DRD2ADRA1ACYP1A2CYP3A4HTR1A
SCHEMBL11796046 0.88 DRD2 (0.88) DRD2ADRA1ACYP1A2CYP3A4HTR1A
SCHEMBL9052336 0.88 DRD2 (0.91) DRD2ADRA1ACYP1A2CYP3A4HTR1A
SCHEMBL9050736 0.88 DRD2 (1.00) DRD2ADRA1ACYP1A2CYP3A4HTR1A
SCHEMBL9053115 0.88 DRD2 (0.83) DRD2ADRA1ACYP1A2CYP3A4HTR1A

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-20180162867-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-06-14 US disclosed
WO-1996002250-A1 HALOPERIDOL ANALOGS AND THE USE THEREOF ACEA PHARMACEUTICALS INC. (US) 1996-02-01 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-20180162867-A1 EIS INHIBITORS EP300, ACAT1, ACAT2 DRD2 4655/4885ADRA1A 2927/4885CYP1A2 2742/4885

“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.