SCHEMBL2374953

SCHEMBL2374953

COc1ccc[c]c1NC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.42
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
AGER Q15109 1/20 0.41
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL16320283 0.76 KDM4E (0.39) SMN1; SMN2RAB9ANPC1LMNAALDH1A1
SCHEMBL19915073 0.73 NPSR1 (0.61) HPGDSMN1; SMN2RAB9ATSHRNPC1
SCHEMBL4838809 0.72 CA1 (0.42) HPGDSMN1; SMN2RAB9ATSHRNPC1
SCHEMBL28189800 0.71 CA1 (0.41) HPGDTSHRTP53LMNAALDH1A1
SCHEMBL7474651 0.69 MAPK1 (0.43) HPGDSMN1; SMN2RAB9ANPC1TP53
SCHEMBL2374957 0.69 NPSR1 (0.42) HPGDSMN1; SMN2RAB9ATSHRNPC1
SCHEMBL20931339 0.69 KDM4E (0.54) HPGDSMN1; SMN2RAB9ATSHRNPC1
SCHEMBL1646836 0.68 LMNA (0.55) HPGDSMN1; SMN2RAB9ATSHRNPC1
SCHEMBL2469196 0.68 PDE4A (0.40) TSHRALDH1A1PDGFRBPDGFRAALOX15
SCHEMBL7476821 0.67 SMN1; SMN2 (0.42) SMN1; SMN2RAB9ATSHRNPC1ALDH1A1

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
EP-2544684-B1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) JANSSEN PHARMACEUTICA NV (BE) 2014-12-24 EP disclosed
US-20110224209-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-15 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-20110224209-A1 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES USEFUL AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-1 (DPP-1) DPP4, DPP3, DPP7 HPGD 2257/4885SMN1; SMN2 2286/4885RAB9A 3028/4885

“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.