SCHEMBL12175487

SCHEMBL12175487

FC1(c2ccc(Cl)cc2)CCN(CCC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.72
OPRM1 P35372 4/20 0.72
CCR1 P32246 2/20 0.60
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
OPRD1 P41143 2/20 0.48
KCNA3 P22001 2/20 0.47
HTR1A P08908 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
SLC6A2 P23975 1/20 0.47
HRH2 P25021 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR7 P34969 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47

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
Hydrochloric Acid SCHEMBL2583597 0.99 OPRL1 (0.70) OPRL1OPRM1CCR1DRD2DRD4
SCHEMBL654214 0.79 CCR3 (0.68) OPRL1OPRM1DRD2DRD4DRD3
SCHEMBL12175529 0.78 CCR3 (0.67) DRD2DRD4DRD3HTR1ADRD1
SCHEMBL12175520 0.78 OPRL1 (0.60) OPRL1OPRM1CCR1OPRD1KCNA3
SCHEMBL12175525 0.77 DRD2 (0.64) DRD2DRD4DRD3HTR1ADRD1
Hydrochloric Acid SCHEMBL2588323 0.77 CCR3 (0.65) DRD2DRD4DRD3HTR1ADRD1
Hydrochloric Acid SCHEMBL2586529 0.77 OPRL1 (0.59) OPRL1OPRM1CCR1OPRD1KCNA3
Hydrochloric Acid SCHEMBL2585706 0.76 DRD2 (0.62) DRD2DRD4DRD3HTR1ADRD1
Hydrochloric Acid SCHEMBL29267226 0.76 CYP3A4 (0.66) OPRL1OPRM1DRD3KCNA3HTR1A
Hydrochloric Acid SCHEMBL30517299 0.76 CYP3A4 (0.66) OPRL1OPRM1DRD3KCNA3HTR1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859777-B2 4-fluoro-4-arylpiperdin-1-yl derivatives as mu opioid function moderators KINENTIA BIOSCIENCES LLC (US) 2014-10-14 US disclosed
US-8859777-B2 4-fluoro-4-arylpiperdin-1-yl derivatives as mu opioid function moderators KINENTIA BIOSCIENCES LLC (US) 2014-10-14 US disclosed
US-8859777-B2 4-fluoro-4-arylpiperdin-1-yl derivatives as mu opioid function moderators KINENTIA BIOSCIENCES LLC (US) 2014-10-14 US disclosed
US-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES, LLC (US) 2013-02-21 US disclosed
US-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES, LLC (US) 2013-02-21 US disclosed
US-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES, LLC (US) 2013-02-21 US disclosed
WO-2011137331-A2 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES LLC (US) 2011-11-03 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-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS OPRD1, OPRK1, OPRM1 OPRL1 4/4885OPRM1 3/4885CCR1 1236/4885

“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.