SCHEMBL4635254

SCHEMBL4635254

NC1C2CN(c3ccc(Cl)cn3)CC12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 2/20 0.45
▸ CNR2 P34972 1/20 0.44
▸ DRD4 P21917 4/20 0.42
▸ HTR1A P08908 3/20 0.42
▸ HTR2A P28223 3/20 0.42
▸ HTR7 P34969 3/20 0.42
▸ DRD3 P35462 3/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ DPP4 P27487 2/20 0.41
▸ PREP P48147 1/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP7 Q9UHL4 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.40
▸ DRD2 P14416 3/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ OGA O60502 1/20 0.38
▸ TRPA1 O75762 2/20 0.38
▸ GRM4 Q14833 1/20 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
SCHEMBL22210055 0.79 CNR2 (0.41) CNR2DRD4HTR1AHTR2AHTR7
SCHEMBL22129422 0.79 PDE10A (0.50) CNR2DRD4HTR1AHTR2AHTR7
SCHEMBL12683431 0.79 CNR2 (0.46) CNR2DRD4HTR1AHTR2AHTR7
SCHEMBL7388511 0.78 PDE10A (0.47) PTPN11CNR2DRD4HTR1AHTR2A
Hydrochloric Acid SCHEMBL9005366 0.77 PDE10A (0.46) PTPN11CNR2DRD4HTR1AHTR2A
SCHEMBL1351813 0.77 PTPN11 (0.47) PTPN11CNR2DRD4PDE10AGPR119
SCHEMBL1351815 0.77 PTPN11 (0.47) PTPN11CNR2DRD4PDE10AGPR119
SCHEMBL6947627 0.76 KMT2A (0.53) PTPN11CNR2DRD4HTR1AHTR2A
SCHEMBL2694477 0.76 KDM4E (0.47) DPP4PREPDPP8DPP7GPR119
SCHEMBL2694481 0.76 KDM4E (0.47) DPP4PREPDPP8DPP7GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300251-A1 Derivatives of 3-Azabicyclo[3.1.0] Hexane as Dipeptidyl Peptidase-IV Inhibitors RANBAXY LABORATORIES LIMITED (IN) 2008-12-04 — — US disclosed
EP-1931633-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-06-18 — — EP disclosed
WO-2007029086-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 — — 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-20080300251-A1 Derivatives of 3-Azabicyclo[3.1.0] Hexane as Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP8 PTPN11 2188/4885CNR2 1231/4885DRD4 1889/4885

“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.

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