SCHEMBL998897

SCHEMBL998897

O=C(Nc1cccc(F)c1)N1CCc2nc3ncccc3cc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.51
PDGFRB P09619 1/20 0.48
GPR142 Q7Z601 1/20 0.48
TRPV1 Q8NER1 2/20 0.48
PDE10A Q9Y233 1/20 0.46
CYP3A4 P08684 4/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FAAH O00519 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL996805 0.92 PDGFRB (0.48) KDRPDGFRBGPR142PDE10ASMN1; SMN2
SCHEMBL1079094 0.85 NPC1 (0.60) PDGFRBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL998095 0.85 NPC1 (0.50) KDRPDGFRBPDE10AFAAHLMNA
SCHEMBL1818123 0.83 NPC1 (0.58) PDGFRBGPR142TRPV1SMN1; SMN2FAAH
SCHEMBL1820659 0.78 TRPV1 (0.48) KDRPDGFRBGPR142TRPV1PDE10A
Hydrochloric Acid SCHEMBL1819216 0.78 TRPV1 (0.47) KDRPDGFRBGPR142TRPV1PDE10A
SCHEMBL17635116 0.75 PDGFRB (0.71) KDRPDGFRBTRPV1CYP3A4SMN1; SMN2
SCHEMBL23326841 0.72 RAB9A (0.70) PDGFRBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2803952 0.71 TRPV1 (0.56) GPR142TRPV1CYP3A4CYP2D6CYP2C19
SCHEMBL25240416 0.70 GPR142 (0.60) PDGFRBGPR142TRPV1CYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP disclosed
WO-2011060394-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2011-05-19 WO disclosed
WO-2011060395-A1 CYCLIC UREAS USEFUL AS HIV INHIBITORS SCHERING CORPORATION (US) 2011-05-19 WO disclosed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS KDR 4789/4885PDGFRB 4439/4885GPR142 2079/4885

“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.