SCHEMBL4635455

SCHEMBL4635455

NC1C2CN(C(=O)c3c(F)cccc3F)CC12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
HCRTR1 O43613 3/20 0.49
HCRTR2 O43614 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 2/20 0.40
SPR P35270 1/20 0.40
PLAU P00749 1/20 0.39
ELANE P08246 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4788064 0.82 TSHR (0.53) LMNAHCRTR1HCRTR2CYP2C9CYP2C19
SCHEMBL4788243 0.82 TSHR (0.53) LMNAHCRTR1HCRTR2CYP2C9CYP2C19
SCHEMBL4635404 0.80 PLA2G7 (0.60) LMNAHTTALDH1A1
SCHEMBL4635309 0.76 SMN1; SMN2 (0.65) LMNAHCRTR1HCRTR2KMT2AHTT
SCHEMBL4635067 0.75 HSD11B1 (0.51) KMT2AALDH1A1KDM4EPOLB
SCHEMBL4636613 0.74 CES2 (0.46) HCRTR1HCRTR2CES2CES1TSHR
SCHEMBL4635509 0.74 KMT2A (0.55) LMNAKMT2AALDH1A1CES2CES1
SCHEMBL4636532 0.74 P2RX7 (0.46) HCRTR1HCRTR2ALDH1A1TSHR
SCHEMBL4635474 0.73 CES2 (0.42) KMT2AALDH1A1KDM4ECES2CES1
SCHEMBL4636539 0.73 TSHR (0.46) HCRTR1HCRTR2TSHR

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 LMNA 3634/4885HCRTR1 1802/4885HCRTR2 1658/4885

“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.