SCHEMBL3479676

SCHEMBL3479676

Cc1ccnc2c3c(nn12)CN(C(=O)O)C3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.41
FAP Q12884 5/20 0.41
DPP8 Q6V1X1 5/20 0.41
KCNH2 Q12809 1/20 0.38
HTR6 P50406 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NTRK1 P04629 1/20 0.33
PIM1 P11309 1/20 0.33
PTGS2 P35354 1/20 0.32
GRM5 P41594 1/20 0.32
TSHR P16473 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL18043808 0.76 HSP90AA1 (0.31) ALDH1A1
SCHEMBL12984796 0.74 DPP4 (0.42) DPP4FAPDPP8KCNH2HTR6
SCHEMBL3479851 0.72 CYP2D6 (0.35) DPP4FAPDPP8KCNH2
SCHEMBL8210252 0.69 DPP4 (0.37) DPP4FAPDPP8KCNH2HTR6
SCHEMBL18043833 0.69 MAPT (0.32)
SCHEMBL18043811 0.69 HTR6 (0.36) HTR6SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL27932368 0.67
SCHEMBL3722963 0.67 LMNA (0.34) DPP8SMN1; SMN2CHRM4
SCHEMBL18043829 0.65 P2RX7 (0.30)
SCHEMBL16619826 0.65 PIK3CD (0.44) HTR6SMN1; SMN2ALDH1A1NPC1RAB9A

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
EP-2094081-B1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2012-07-11 EP disclosed
US-7855206-B2 Tricyclic heteroaromatic compounds as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-12-21 US disclosed
US-20100056550-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2010-03-04 US 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-20100056550-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 DPP4 1/4885FAP 31/4885DPP8 5/4885

“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.