SCHEMBL3387449

SCHEMBL3387449

O=C(O)N1CCC(O)(c2cc(F)cc(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 5/20 0.43
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
OPRL1 P41146 3/20 0.41
DRD2 P14416 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CCR1 P32246 1/20 0.40
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
PKLR P30613 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL23365187 0.94 S1PR2 (0.40) S1PR2OPRM1OPRD1OPRK1OPRL1
SCHEMBL2535627 0.90 S1PR2 (0.39) S1PR2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5378448 0.89 S1PR2 (0.39) S1PR2OPRM1OPRD1OPRK1OPRL1
SCHEMBL3384895 0.89 DRD2 (0.47) S1PR2OPRM1DRD2CYP3A4CYP2C9
SCHEMBL5367535 0.87 S1PR2 (0.57) S1PR2OPRM1OPRD1OPRK1OPRL1
SCHEMBL1010786 0.85 S1PR2 (0.40) S1PR2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5375986 0.85 CCR1 (0.42) S1PR2OPRM1OPRD1OPRK1OPRL1
SCHEMBL3441859 0.84 OPRM1 (0.60) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL4725181 0.83 OPRM1 (0.55) S1PR2OPRM1OPRD1OPRK1OPRL1
SCHEMBL2531711 0.81 DRD2 (0.43) S1PR2DRD2CCR1DRD4DRD3

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 8 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-1963268-B1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-12-01 EP disclosed
US-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-10-30 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP 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 S1PR2 4307/4885OPRM1 3770/4885OPRD1 3666/4885
US-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission SLC6A2, SLC18A2, PNMT S1PR2 537/4885OPRM1 72/4885OPRD1 80/4885

“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.