SCHEMBL2268801

SCHEMBL2268801

OC1(c2ccc(F)c(C(F)(F)F)c2)CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.51
OPRL1 P41146 7/20 0.42
OPRM1 P35372 11/20 0.40
KCNN4 O15554 5/20 0.39
OPRD1 P41143 6/20 0.39
OPRK1 P41145 5/20 0.39
AR P10275 2/20 0.38
HTR1A P08908 4/20 0.37
DRD4 P21917 4/20 0.37
HTR1D P28221 4/20 0.37
HTR2A P28223 4/20 0.37
HTR2C P28335 4/20 0.37
HTR7 P34969 4/20 0.37
HRH2 P25021 3/20 0.37
HRH1 P35367 3/20 0.37
DRD1 P21728 3/20 0.37
DRD5 P21918 3/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
DRD3 P35462 3/20 0.37

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
Tert-Butyl Formate SCHEMBL27686523 0.87 KCNN4 (0.42) DRD2OPRL1OPRM1KCNN4OPRD1
SCHEMBL2275324 0.83 DRD2 (0.46) DRD2OPRL1OPRM1OPRD1OPRK1
SCHEMBL186535 0.83 OPRM1 (0.56) DRD2OPRL1OPRM1OPRD1OPRK1
SCHEMBL30546606 0.83 OPRM1 (0.56) DRD2OPRL1OPRM1OPRD1OPRK1
SCHEMBL533971 0.82 DRD2 (0.59) DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL17186885 0.81 PDE2A (0.45) DRD2OPRL1OPRM1KCNN4OPRD1
Hydrochloric Acid SCHEMBL22616883 0.80 DRD2 (0.58) DRD2SLC6A2SLC6A4SLC6A3
SCHEMBL5775884 0.80 DRD2 (0.54) DRD2OPRL1OPRM1OPRD1OPRK1
SCHEMBL25556912 0.80 DRD2 (0.46) DRD2OPRL1OPRM1OPRD1OPRK1
SCHEMBL10078310 0.79 OPRL1 (0.49) DRD2OPRL1OPRM1KCNN4OPRD1

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 14 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-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
CN-101076517-B Substituted piperidines as modulators of dopamine neurotransmission NSAB AF NEUROSEARCH SWEDEN AB 2010-12-15 CN 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
CN-101076517-A Novel substituted piperidines as modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2007-11-21 CN disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 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 DRD2 3805/4885OPRL1 3885/4885OPRM1 3770/4885
US-20070270467-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, PRLHR, DRD3 DRD2 1/4885OPRL1 9/4885OPRM1 35/4885

“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.