SCHEMBL3851628

SCHEMBL3851628

Cc1ccc(C2(O)CCN(C(=O)O)CC2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.45
OPRL1 P41146 9/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
OPRD1 P41143 6/20 0.42
OPRK1 P41145 4/20 0.42
S1PR2 O95136 3/20 0.41
HTR1A P08908 3/20 0.41
DRD2 P14416 3/20 0.41
DRD1 P21728 3/20 0.41
DRD4 P21917 3/20 0.41
DRD5 P21918 3/20 0.41
SLC6A2 P23975 3/20 0.41
HRH2 P25021 3/20 0.41
HTR1D P28221 3/20 0.41
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
SLC6A4 P31645 3/20 0.41
HTR7 P34969 3/20 0.41

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
SCHEMBL3860368 0.85 OPRL1 (0.46) OPRM1OPRL1SCN1ASCN2ASCN3A
SCHEMBL3387476 0.84 OPRM1 (0.61) OPRM1OPRL1SCN1ASCN2ASCN3A
SCHEMBL3856784 0.84 TACR1 (0.45) OPRM1OPRL1SCN1ASCN2ASCN3A
SCHEMBL5376169 0.83 POLB (0.46) OPRM1OPRL1OPRD1OPRK1DRD2
SCHEMBL5379982 0.82 AKR1B10 (0.47) OPRM1OPRL1OPRD1OPRK1S1PR2
SCHEMBL5378220 0.81 POLB (0.44) S1PR2DRD2DRD4DRD3MEN1
SCHEMBL5367987 0.80 POLB (0.42) S1PR2DRD2DRD4DRD3MEN1
SCHEMBL23577913 0.77 OPRL1 (0.53) OPRM1OPRL1OPRD1OPRK1S1PR2
SCHEMBL5375143 0.77 KDM4E (0.43) OPRM1OPRL1OPRD1OPRK1DRD2
SCHEMBL5371445 0.76 L3MBTL1 (0.44) OPRM1OPRL1S1PR2DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP claimed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US claimed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP claimed
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
EP-1765779-B1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2009-11-18 EP disclosed
US-7579474-B2 Substituted piperidines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH AB, SVERIGE (DK) 2009-08-25 US disclosed
US-20070270467-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2007-11-22 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1765779-A1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-03-28 EP disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP disclosed
WO-2005121092-A1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 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 (2 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 OPRM1 3770/4885OPRL1 3885/4885SCN1A 1376/4885
US-20070270467-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, PRLHR, DRD3 OPRM1 35/4885OPRL1 9/4885SCN1A 408/4885

“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.