SCHEMBL2615401

SCHEMBL2615401

Cc1ccc(C(CCCN2CCC(n3c(=O)[nH]c4cc([18F])ccc43)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.75
CHRM1 P11229 5/20 0.75
HTR1A P08908 5/20 0.75
HTR2A P28223 5/20 0.75
OPRM1 P35372 5/20 0.75
DRD3 P35462 5/20 0.75
KCNH2 Q12809 4/20 0.75
CYP2D6 P10635 3/20 0.75
DRD4 P21917 3/20 0.75
HTR2C P28335 3/20 0.75
HTR2B P41595 3/20 0.75
ADRA2A P08913 3/20 0.75
MLNR O43193 2/20 0.75
LMNA P02545 2/20 0.75
CYP1A2 P05177 2/20 0.75
PGR P06401 2/20 0.75
ADRB2 P07550 2/20 0.75
CHRM2 P08172 2/20 0.75
ADRB1 P08588 2/20 0.75
ADRA2B P18089 2/20 0.75

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
SCHEMBL2615398 1.00 DRD2 (0.75) DRD2CHRM1HTR1AHTR2AOPRM1
SCHEMBL1152218 0.95 OPRM1 (0.76) DRD2CHRM1HTR1AHTR2AOPRM1
SCHEMBL1152828 0.95 DRD2 (0.81) DRD2CHRM1HTR1AHTR2AOPRM1
Isopropyl Alcohol SCHEMBL11845667 0.92 OPRM1 (0.71) DRD2CHRM1HTR1AHTR2AOPRM1
SCHEMBL2615399 0.92 OPRM1 (0.70) DRD2CHRM1HTR1AHTR2AOPRM1
SCHEMBL10034840 0.91 OPRM1 (0.91) DRD2CHRM1HTR1AHTR2AOPRM1
SCHEMBL11846888 0.88 OPRM1 (0.76) DRD2CHRM1HTR1AHTR2AOPRM1
SCHEMBL1152823 0.88 DRD2 (0.76) DRD2CHRM1HTR1AHTR2AOPRM1
Clopimozide SCHEMBL29710914 0.88 DRD2 (0.76) DRD2CHRM1HTR1AHTR2AOPRM1
Clopimozide SCHEMBL123100 0.88 DRD2 (0.76) DRD2CHRM1HTR1AHTR2AOPRM1

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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS DRD2 2857/4885CHRM1 4388/4885HTR1A 3795/4885

“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.