SCHEMBL2373792

SCHEMBL2373792

c1cnc(N2CCC(c3ccc4cccnc4n3)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP2C19 P33261 1/20 0.42
PDE10A Q9Y233 1/20 0.41
OGA O60502 3/20 0.40
DKK1 O94907 2/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
USP30 Q70CQ3 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
ALDH1A1 P00352 2/20 0.37
RBP4 P02753 1/20 0.37
RET P07949 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
SCHEMBL16334101 0.84 ALDH1A1 (0.46) KDM4EPDE10ALMNAMAPTALDH1A1
SCHEMBL21832083 0.79 KDM4E (0.47) KDM4EPDE10ALMNAALDH1A1
SCHEMBL274998 0.77 SLC6A2 (0.41) KDM4ELMNAALDH1A1
SCHEMBL21713065 0.77 SMO (0.40) PDE10AMAPTALDH1A1
SCHEMBL275533 0.75 PDE10A (0.54) PDE10A
SCHEMBL275522 0.74 GLP1R (0.38) PDE10AOGAMAPTALDH1A1
SCHEMBL276023 0.74 PDE10A (0.37) PDE10A
SCHEMBL275614 0.73 CNR2 (0.38) PDE10A
SCHEMBL276092 0.73 GLP1R (0.38) PDE10A
SCHEMBL275589 0.73 ALDH1A1 (0.42) KDM4EPDE10ALMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237605-A1 Molecular Crystal of (4-(1,8-Naphthyridin-2-YL)Piperidin-1-YL)Pyrimidine Derivative WP PRISM INC. (N/K/A BAUSCH & LOMB HOLDINGS INC.) 2011-09-29 US disclosed
US-20110237605-A1 Molecular Crystal of (4-(1,8-Naphthyridin-2-YL)Piperidin-1-YL)Pyrimidine Derivative WP PRISM INC. (N/K/A BAUSCH & LOMB HOLDINGS INC.) 2011-09-29 US disclosed
WO-2011119282-A1 MOLECULAR CRYSTAL OF (4 -(1,8-NAPHTHYRIDIN-2-YL) PIPERIDIN - 1 -YL ) PYRIMIDINE DERIVATIVE BAUSCH & LOMB INCORPORATED (US) 2011-09-29 WO disclosed
WO-2011119282-A1 MOLECULAR CRYSTAL OF (4 -(1,8-NAPHTHYRIDIN-2-YL) PIPERIDIN - 1 -YL ) PYRIMIDINE DERIVATIVE BAUSCH & LOMB INCORPORATED (US) 2011-09-29 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-20110237605-A1 Molecular Crystal of (4-(1,8-Naphthyridin-2-YL)Piperidin-1-YL)Pyrimidine Derivative PDGFRA, FLT1, PDGFRB NPC1 3036/4885RAB9A 1343/4885KDM4E 2774/4885

“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.