SCHEMBL3083969

SCHEMBL3083969

COc1ccc(-n2nc3c(c2-c2ccc(C)cc2)CCCC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.48
PTGS1 P23219 3/20 0.47
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
C5AR1 P21730 2/20 0.43
HRH2 P25021 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SRC P12931 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
DCTPP1 Q9H773 1/20 0.41

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
SCHEMBL28261225 0.81 PTGS2 (0.45) PTGS2PTGS1HRH2HRH3SRC
SCHEMBL28709337 0.81 PTGS2 (0.45) PTGS2PTGS1HRH2HRH3SRC
SCHEMBL28691204 0.79 PTGS2 (0.45) PTGS2PTGS1SRCNPC1
SCHEMBL10588552 0.77 PTGS2 (0.53) PTGS2PTGS1HRH2HRH3NPC1
SCHEMBL10589030 0.77 PTGS2 (0.47) PTGS2PTGS1HRH2HRH3MEN1
SCHEMBL4928211 0.76 CNR1 (0.41) PTGS2PTGS1
SCHEMBL1476430 0.75 HTR2A (0.76) PTGS2PTGS1HTR2AHTR2CHTR2B
SCHEMBL4926872 0.75 CNR1 (0.56) PTGS2HTR2AHTR2BHRH2
SCHEMBL23400278 0.73 CFTR (0.49) PTGS2PTGS1SRCNPC1RAB9A
SCHEMBL23398971 0.73 PTGS1 (0.48) PTGS2PTGS1RAB9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795294-B2 Tetrahydro-2H-indazole pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-14 US disclosed
US-20080058313-A1 TETRAHYDRO-2H-INDAZOLE PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-03-06 US disclosed
WO-2007095513-A1 TETRAHYDR0-2H-INDAZ0LE DERIVATIVES FOR USE AS CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2007-08-23 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-20080058313-A1 TETRAHYDRO-2H-INDAZOLE PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, GPR35 PTGS2 773/4885PTGS1 485/4885HTR2A 67/4885

“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.