SCHEMBL2615196

SCHEMBL2615196

Cc1ccc2c(c1)N=C(N1CCNCC1)c1cc(Cl)ccc1O2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.74
HTR2C P28335 5/20 0.74
HTR2A P28223 5/20 0.74
ADRA2A P08913 4/20 0.74
DRD4 P21917 4/20 0.74
HRH1 P35367 4/20 0.74
HTR1A P08908 3/20 0.74
CHRM2 P08172 3/20 0.74
CHRM4 P08173 3/20 0.74
CHRM5 P08912 3/20 0.74
CHRM1 P11229 3/20 0.74
CHRM3 P20309 3/20 0.74
DRD1 P21728 3/20 0.74
KCNH2 Q12809 3/20 0.74
HRH2 P25021 3/20 0.74
CYP1A2 P05177 3/20 0.74
CYP3A4 P08684 3/20 0.74
CYP2D6 P10635 3/20 0.74
ADRB2 P07550 2/20 0.74
ADORA3 P0DMS8 2/20 0.74

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
SCHEMBL13285190 0.86 DRD2 (0.74) DRD2HTR2CHTR2AADRA2ADRD4
SCHEMBL3405527 0.86 HTR2C (0.55) DRD2HTR2CHTR2AADRA2ADRD4
SCHEMBL31098217 0.86 DRD2 (0.74) DRD2HTR2CHTR2AADRA2ADRD4
SCHEMBL2738764 0.86 DRD2 (0.74) DRD2HTR2CHTR2AADRA2ADRD4
SCHEMBL2615198 0.86 HRH4 (0.58) DRD2HTR2CHTR2AADRA2ADRD4
Amoxapine SCHEMBL29354942 0.85 DRD2 (1.00) DRD2HTR2CHTR2AADRA2ADRD4
Amoxapine SCHEMBL29370074 0.85 DRD2 (1.00) DRD2HTR2CHTR2AADRA2ADRD4
Amoxapine SCHEMBL5498936 0.85 DRD2 (1.00) DRD2HTR2CHTR2AADRA2ADRD4
Amoxapine SCHEMBL33950 0.85 DRD2 (1.00) DRD2HTR2CHTR2AADRA2ADRD4
Amoxapine SCHEMBL29482386 0.85 DRD2 (1.00) DRD2HTR2CHTR2AADRA2ADRD4

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 2857/4885HTR2C 2094/4885HTR2A 3735/4885

“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.