SCHEMBL300478

SCHEMBL300478

O=C(O)c1nn(Cc2ccccc2)c2c1CCCCC2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 8/20 0.50
FABP3 P05413 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SIGMAR1 Q99720 2/20 0.47
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43
SLC2A1 P11166 1/20 0.43
PTGER4 P35408 1/20 0.42
KCNK3 O14649 3/20 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
SCHEMBL182893 0.99 FABP4 (0.49) FABP4FABP3MEN1KMT2ASIGMAR1
SCHEMBL4218086 0.89 FABP4 (0.50) FABP4SIGMAR1TSHRPTGER4KCNK3
SCHEMBL2870198 0.89 PTGER4 (0.48) FABP4FABP3MEN1KMT2ASIGMAR1
SCHEMBL2843685 0.89 PTGER4 (0.48) FABP4FABP3MEN1KMT2ASIGMAR1
SCHEMBL10216949 0.89 MEN1 (0.48) FABP4FABP3MEN1KMT2ASIGMAR1
SCHEMBL5807508 0.89 MAPT (0.46) FABP4FABP3MEN1KMT2ATSHR
SCHEMBL5806383 0.88 FABP4 (0.49) FABP4FABP3KMT2AGAATSHR
SCHEMBL5079503 0.85 CCNA2 (0.47) FABP4FABP3MEN1KMT2ASIGMAR1
SCHEMBL5811567 0.84 CYP2C9 (0.48) SIGMAR1GAAPOLBKCNK3
SCHEMBL2715130 0.83 MEN1 (0.45) FABP4FABP3MEN1KMT2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378096-B2 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US claimed
EP-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP claimed
US-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 US claimed
JP-2009508953-A 2009-03-05 JP claimed
EP-1937259-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP claimed
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-31 US claimed
WO-2007038036-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-05 WO claimed

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-20090197886-A1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS CNR2, CNR1, FAAH FABP4 2279/4885FABP3 963/4885MEN1 4260/4885
US-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators CNR2, CNR1, FAAH FABP4 2279/4885FABP3 963/4885MEN1 4260/4885

“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.