SCHEMBL13633136

SCHEMBL13633136

CC(C)(C)C1(c2cccc(Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.45
SLC6A4 P31645 7/20 0.45
SLC6A2 P23975 6/20 0.45
HTR2C P28335 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
DPP4 P27487 2/20 0.41
CCR2 P41597 1/20 0.40
CHRNA1 P02708 4/20 0.38
CHRNG P07510 4/20 0.38
CHRNB1 P11230 4/20 0.38
CHRNB2 P17787 4/20 0.38
CHRNB4 P30926 4/20 0.38
CHRNA3 P32297 4/20 0.38
CHRNA4 P43681 4/20 0.38
CHRND Q07001 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD11B1 P28845 2/20 0.35
ICMT O60725 1/20 0.35

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
SCHEMBL17031730 0.77 KDM1A (0.46) SLC6A3SLC6A4SLC6A2HTR2CHTR2A
SCHEMBL8126583 0.77 ALDH1A1 (0.39) SLC6A3SLC6A4SLC6A2CHRNA1CHRNG
SCHEMBL10244935 0.75 SLC6A4 (0.40) SLC6A3SLC6A4SLC6A2CHRNA1CHRNG
SCHEMBL21526 0.74 OPRM1 (0.45)
SCHEMBL21524 0.74 OPRM1 (0.45)
SCHEMBL5755002 0.74 OPRD1 (0.43) SLC6A3SLC6A4SLC6A2CHRNA1CHRNG
SCHEMBL9911479 0.74 SLC6A3 (0.49) SLC6A3SLC6A4SLC6A2HTR2CHTR2A
SCHEMBL23511338 0.73 SLC6A4 (0.53) SLC6A3SLC6A4SLC6A2HTR2CHTR2A
SCHEMBL5754214 0.72 DRD4 (0.40) SLC6A3SLC6A4SLC6A2CHRNA1CHRNG
SCHEMBL23341010 0.71 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2HTR2CHTR2A

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-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 SLC6A3 1746/4885SLC6A4 3270/4885SLC6A2 3241/4885

“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.