SCHEMBL996805

SCHEMBL996805

O=C(Nc1cc(F)cc(F)c1)N1CCc2nc3ncccc3cc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.48
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
KDR P35968 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
NAMPT P43490 3/20 0.40
NTRK1 P04629 1/20 0.40
HSP90AB1 P08238 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
GPR142 Q7Z601 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38

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
SCHEMBL998897 0.92 KDR (0.51) PDGFRBNPC1RAB9AKDRSMN1; SMN2
SCHEMBL1818123 0.84 NPC1 (0.58) PDGFRBNPC1RAB9ASMN1; SMN2NTRK1
SCHEMBL1079094 0.81 NPC1 (0.60) PDGFRBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL998095 0.81 NPC1 (0.50) PDGFRBNPC1RAB9AKDRNAMPT
SCHEMBL23326841 0.71 RAB9A (0.70) PDGFRBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL1820659 0.70 TRPV1 (0.48) PDGFRBNPC1RAB9AKDRSMN1; SMN2
Hydrochloric Acid SCHEMBL1819216 0.69 TRPV1 (0.47) PDGFRBNPC1RAB9AKDRSMN1; SMN2
SCHEMBL17635116 0.69 PDGFRB (0.71) PDGFRBNPC1RAB9AKDRSMN1; SMN2
SCHEMBL25240416 0.68 GPR142 (0.60) PDGFRBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL2805021 0.67 PAK1 (0.43) PDGFRBNPC1RAB9ASMN1; SMN2TP53

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
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP 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 PDGFRB 4439/4885NPC1 707/4885RAB9A 2961/4885

“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.