SCHEMBL4669299

SCHEMBL4669299

NC1C2CN(c3nc4ccccc4s3)CC12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.55
NPC1 O15118 9/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
MAPT P10636 2/20 0.49
TSHR P16473 2/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HCRTR1 O43613 2/20 0.48
HCRTR2 O43614 2/20 0.48
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL15222965 0.87 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12207518 0.82 RAB9A (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL18231175 0.81 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL14143880 0.78 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL23965800 0.77 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL23965751 0.77 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6771343 0.77 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL23744586 0.77 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6771349 0.77 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10489897 0.76 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 RAB9A 4093/4885NPC1 1978/4885SMN1; SMN2 4580/4885

“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.