SCHEMBL4725181

SCHEMBL4725181

O=C(O)N1CCC(O)(c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.55
OPRK1 P41145 3/20 0.55
OPRD1 P41143 2/20 0.55
OPRL1 P41146 2/20 0.55
DRD2 P14416 6/20 0.54
DRD3 P35462 2/20 0.54
DRD4 P21917 1/20 0.54
CCR1 P32246 1/20 0.54
S1PR2 O95136 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.49
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
NR1I2 O75469 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 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 SCHEMBL3428801 0.97 OPRM1 (0.52) OPRM1OPRK1OPRD1OPRL1DRD2
Hydrochloric Acid SCHEMBL3428799 0.97 OPRM1 (0.52) OPRM1OPRK1OPRD1OPRL1DRD2
SCHEMBL1581427 0.95 OPRM1 (0.51) OPRM1OPRK1OPRD1OPRL1DRD2
SCHEMBL3541960 0.90 DRD2 (0.49) OPRM1OPRK1OPRD1OPRL1DRD2
SCHEMBL795975 0.84 ALDH1A1 (0.56) OPRM1OPRK1OPRD1OPRL1DRD2
SCHEMBL1427539 0.83 CA12 (0.57) OPRM1OPRK1OPRD1OPRL1DRD2
SCHEMBL3387449 0.83 S1PR2 (0.43) OPRM1OPRK1OPRD1OPRL1DRD2
SCHEMBL2229509 0.83 MEN1 (0.62) OPRM1OPRK1OPRD1OPRL1DRD2
SCHEMBL4728073 0.83 HSD11B1 (0.44) OPRM1OPRK1OPRD1OPRL1DRD2
SCHEMBL5371705 0.83 OPRM1 (0.55) OPRM1OPRK1OPRD1OPRL1DRD2

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 5 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 disclosed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO 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 OPRM1 3770/4885OPRK1 3177/4885OPRD1 3666/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 OPRM1 2171/4885OPRK1 1973/4885OPRD1 2480/4885

“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.