SCHEMBL13464239

SCHEMBL13464239

O=C(OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.73
DRD2 P14416 5/20 0.73
HRH1 P35367 5/20 0.73
DRD3 P35462 5/20 0.73
MAPT P10636 4/20 0.73
MAPK1 P28482 4/20 0.73
LMNA P02545 4/20 0.73
ADRA2A P08913 4/20 0.73
ADRA2B P18089 4/20 0.73
ADRA2C P18825 4/20 0.73
SLC6A2 P23975 4/20 0.73
HTR2A P28223 4/20 0.73
SLC6A4 P31645 4/20 0.73
HTR2B P41595 4/20 0.73
TP53 P04637 4/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
NPSR1 Q6W5P4 3/20 0.73
HTR2C P28335 3/20 0.73
CYP3A4 P08684 3/20 0.73
CYP1A2 P05177 3/20 0.73

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
Thiopropazate SCHEMBL144729 0.92 MAPT (0.72) CYP2D6DRD2HRH1DRD3MAPT
Thiopropazate SCHEMBL955965 0.91 MAPT (0.70) CYP2D6DRD2HRH1DRD3MAPT
Thiopropazate SCHEMBL31153316 0.91 MAPT (0.70) CYP2D6DRD2HRH1DRD3MAPT
Thiopropazate SCHEMBL955966 0.91 MAPT (0.70) CYP2D6DRD2HRH1DRD3MAPT
Thiopropazate SCHEMBL1651297 0.90 MAPT (0.69) CYP2D6DRD2HRH1DRD3MAPT
SCHEMBL10084511 0.90 DRD2 (0.69) CYP2D6DRD2HRH1DRD3MAPT
Thiopropazate SCHEMBL5972306 0.89 DRD2 (0.77) CYP2D6DRD2HRH1DRD3MAPT
SCHEMBL1041510 0.89 DRD2 (0.68) CYP2D6DRD2HRH1DRD3MAPT
SCHEMBL10084508 0.88 DRD2 (0.67) CYP2D6DRD2HRH1DRD3MAPT
SCHEMBL10084512 0.88 DRD2 (0.66) CYP2D6DRD2HRH1DRD3MAPT

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-20100068786-A1 METHODS AND COMPOSITIONS FOR REVERSING P-GLYCOPROTEIN MEDICATED DRUG RESISTANCE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-18 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-20100068786-A1 METHODS AND COMPOSITIONS FOR REVERSING P-GLYCOPROTEIN MEDICATED DRUG RESISTANCE ABCC1, ABCB1, ABCG2 CYP2D6 183/4885DRD2 4644/4885HRH1 4283/4885

“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.