SCHEMBL3087986

SCHEMBL3087986

Clc1ccc(-c2c3c(nn2Cc2ccccc2)CCCC3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
HTR7 P34969 2/20 0.49
HTR2A P28223 2/20 0.49
HTR1A P08908 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PTGS1 P23219 3/20 0.45
PTGS2 P35354 3/20 0.45
SIGMAR1 Q99720 1/20 0.44
MAPT P10636 2/20 0.44
STAT3 P40763 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL3086776 0.88 SMN1; SMN2 (0.50) NR1H2NR1H3HTR2AMEN1KMT2A
SCHEMBL1475046 0.85 HTR2A (0.65) NR1H2NR1H3HTR7HTR2AHTR1A
SCHEMBL2073851 0.85 HTR7 (0.60) NR1H2NR1H3HTR7HTR2AHTR1A
SCHEMBL2074648 0.80 HTR7 (0.56) NR1H2NR1H3HTR7HTR2AHTR1A
SCHEMBL3070016 0.79 MEN1 (0.47) NR1H2NR1H3HTR2AMEN1KMT2A
SCHEMBL8132350 0.79 PTGS2 (0.59) HTR2AMEN1KMT2ASMN1; SMN2PTGS1
SCHEMBL3081812 0.76 MALT1 (0.43) NR1H2NR1H3HTR7HTR2AHTR1A
SCHEMBL28691202 0.76 PTGS2 (0.59) HTR2AMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1476424 0.76 HTR2C (0.72) NR1H3HTR7HTR2AHTR1AMEN1
SCHEMBL1476402 0.76 HTR2A (0.50) HTR7HTR2AHTR1AMEN1KMT2A

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 2 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

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 NR1H2 77/4885NR1H3 79/4885HTR7 98/4885

“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.