SCHEMBL4635235

SCHEMBL4635235

NCC1C2CN(S(=O)(=O)c3ccc(F)cc3)CC12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 1/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.43
CYP19A1 P11511 1/20 0.43
MMP2 P08253 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
POLB P06746 1/20 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
SCHEMBL4636596 0.82 PKM (0.53) PKMCYP3A4CYP2C19L3MBTL1TSHR
SCHEMBL2060101 0.78 PKM (0.56) PKMCYP3A4CYP2C19L3MBTL1TSHR
SCHEMBL66579 0.76 MAPT (0.49) PKMCYP3A4CYP2C19L3MBTL1TSHR
SCHEMBL13007128 0.75 MEN1 (0.60) PKMCYP3A4CYP2C19L3MBTL1TSHR
SCHEMBL14153169 0.75 PKM (0.56) PKMCYP3A4CYP2C19L3MBTL1TSHR
SCHEMBL18018492 0.72 PKM (0.53) PKMCYP3A4CYP2C19L3MBTL1TSHR
SCHEMBL7904534 0.72 PKM (0.45) PKMCYP3A4CYP2C19L3MBTL1TSHR
SCHEMBL1711115 0.72 PKM (0.85) PKML3MBTL1TSHRMAPTMEN1
SCHEMBL24193774 0.71 MAPT (0.74) PKMCYP3A4CYP2C19L3MBTL1MAPT
SCHEMBL18423004 0.70 MAPT (0.56) PKMCYP3A4CYP2C19L3MBTL1MAPT

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 PKM 1070/4885CYP3A4 215/4885CYP2C19 2165/4885

“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.