SCHEMBL2843685

SCHEMBL2843685

O=C(O)c1nn(Cc2cccc(Cl)c2)c2c1CCCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
SLC2A1 P11166 1/20 0.48
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
FABP4 P15090 4/20 0.44
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RY14 Q15391 1/20 0.42
FABP3 P05413 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL2870198 1.00 PTGER4 (0.48) PTGER4LMNAHTTSMN1; SMN2NPC1
SCHEMBL300478 0.89 FABP4 (0.50) PTGER4SLC2A1FABP4MEN1KMT2A
SCHEMBL182893 0.88 FABP4 (0.49) PTGER4LMNASLC2A1FABP4MEN1
SCHEMBL5807508 0.86 MAPT (0.46) PTGER4LMNAHTTSMN1; SMN2HTR2C
SCHEMBL5811567 0.84 CYP2C9 (0.48) LMNASMN1; SMN2MAPTSIGMAR1
SCHEMBL4218086 0.82 FABP4 (0.50) PTGER4LMNAHTTSMN1; SMN2FABP4
SCHEMBL5806383 0.80 FABP4 (0.49) PTGER4LMNAHTTSMN1; SMN2NPC1
SCHEMBL10216949 0.79 MEN1 (0.48) LMNAHTTSMN1; SMN2SLC2A1FABP4
SCHEMBL4920523 0.79 CNR2 (0.46) PTGER4MAPTTP53MEN1KMT2A
SCHEMBL4906436 0.77 CNR2 (0.46) PTGER4NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378117-B2 1-(4-fluoro-phenyl)-8-(4-methyl-benzyl)-1,4,5,6,7,8-hexahydro-cycloheptapyrazole-3-carboxylic acid (1,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-amide; antidepressant, anxiolytic; nervous system disorders, metabolic disorders, obesity JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US claimed
EP-2139328-A2 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS Janssen Pharmaceutica, N.V. (BE) 2010-01-06 EP claimed
EP-2139326-A1 METHOD FOR TREATING CB2 RECEPTOR MEDIATED PAIN Janssen Pharmaceutica, N.V. (BE) 2010-01-06 EP claimed
WO-2008115705-A2 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-25 WO claimed
WO-2008115671-A1 METHOD FOR TREATING CB2 RECEPTOR MEDIATED PAIN JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-25 WO claimed
US-20080234347-A1 METHOD FOR TREATING CB2 RECEPTOR MEDIATED PAIN JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-25 US claimed
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 US claimed
EP-2139328-A2 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS Janssen Pharmaceutica, N.V. (BE) 2010-01-06 EP disclosed
WO-2008115705-A2 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-25 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 (2 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-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators CNR2, CNR1, FAAH PTGER4 568/4885LMNA 4644/4885HTT 440/4885
US-20080234347-A1 METHOD FOR TREATING CB2 RECEPTOR MEDIATED PAIN CNR2, CNR1, NPY4R PTGER4 89/4885LMNA 3769/4885HTT 4180/4885

“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.