SCHEMBL3070016

SCHEMBL3070016

Fc1cccc(-c2c3c(nn2Cc2ccccc2)CCCC3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
ADORA1 P30542 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
BCL2A1 Q16548 2/20 0.40
BID P55957 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRA2 P47869 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3087986 0.79 NR1H2 (0.50) MEN1KMT2AHTTNPSR1NR1H2
SCHEMBL3094117 0.78 FABP3 (0.42) MEN1KMT2AHTTNPSR1BCL2A1
SCHEMBL3086776 0.78 SMN1; SMN2 (0.50) MEN1KMT2ANR1H2NR1H3HTR2A
SCHEMBL21863398 0.76 CHRNB4 (0.42) HTTNPSR1ALDH1A1LMNAHPGD
SCHEMBL1475511 0.72 HTR2C (0.61) HTR2AHTR2CHTR2B
SCHEMBL1476424 0.72 HTR2C (0.72) MEN1KMT2ANR1H3HTR2AHTR2C
SCHEMBL2076665 0.69 HTR7 (0.68) HTR2AHTR2CHTR2B
Benzene SCHEMBL27762724 0.68 ADORA1 (0.49) MEN1KMT2AHTTNPSR1ADORA1
SCHEMBL2073851 0.66 HTR7 (0.60) NR1H2NR1H3HTR2AHTR2CHTR2B
SCHEMBL1475046 0.66 HTR2A (0.65) NR1H2NR1H3HTR2AHTR2CHTR2B

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 MEN1 2898/4885KMT2A 2552/4885HTT 1998/4885

“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.