SCHEMBL6703259

SCHEMBL6703259

CC(N)(CN)Cc1ccnc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.59
NCF1 P14598 1/20 0.44
AAK1 Q2M2I8 9/20 0.43
FERMT2 Q96AC1 1/20 0.43
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR3C1 P04150 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
SCHEMBL11954971 0.81 LOXL2 (0.58) LOXL2NCF1AAK1FERMT2HTR1A
SCHEMBL23496972 0.78 LOXL2 (0.55) LOXL2NCF1FERMT2HTR1AADRA1D
SCHEMBL263790 0.75 LOXL2 (1.00) LOXL2NCF1FERMT2HTR1AADRA1D
SCHEMBL30119619 0.75 CYP1A2 (0.46) CYP2D6CYP1A2LMNA
SCHEMBL28157122 0.74 LOXL2 (0.58) LOXL2NCF1FERMT2HTR1AADRA1D
Hydrochloric Acid SCHEMBL3643761 0.73 LOXL2 (0.96) LOXL2NCF1FERMT2HTR1AADRA1D
Hydrochloric Acid SCHEMBL1208908 0.73 LOXL2 (0.96) LOXL2NCF1FERMT2HTR1AADRA1D
SCHEMBL6017487 0.73 NR3C1 (0.49) LOXL2NCF1AAK1FERMT2HTR1A
SCHEMBL28292734 0.72 LOXL2 (0.47) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL6223283 0.72 LOXL2 (0.71) LOXL2NCF1FERMT2HTR1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 LOXL2 3020/4885NCF1 3363/4885AAK1 1832/4885

“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.