SCHEMBL643539

SCHEMBL643539

O=C1CCC/C1=C\c1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.76
AKR1C3 P42330 1/20 0.68
AKR1C1 Q04828 1/20 0.68
ALDH1A1 P00352 3/20 0.67
HTT P42858 3/20 0.67
NPC1 O15118 4/20 0.57
MAPT P10636 4/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 2/20 0.57
EGFR P00533 1/20 0.55
IKBKB O14920 1/20 0.55
CYP1A2 P05177 5/20 0.50
F3 P13726 2/20 0.50
CYP2C9 P11712 1/20 0.50
XBP1 P17861 2/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
NFE2L2 Q16236 1/20 0.49

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
SCHEMBL1524445 1.00 HSD11B1 (0.76) HSD11B1AKR1C3AKR1C1ALDH1A1HTT
SCHEMBL643540 1.00 HSD11B1 (0.76) HSD11B1AKR1C3AKR1C1ALDH1A1HTT
SCHEMBL2717308 0.96 HSD11B1 (0.70) HSD11B1AKR1C3AKR1C1ALDH1A1HTT
SCHEMBL182195 0.96 HSD11B1 (0.70) HSD11B1AKR1C3AKR1C1ALDH1A1HTT
SCHEMBL182196 0.96 HSD11B1 (0.70) HSD11B1AKR1C3AKR1C1ALDH1A1HTT
SCHEMBL394499 0.94 HSD11B1 (0.68) HSD11B1AKR1C3AKR1C1ALDH1A1HTT
SCHEMBL176859 0.94 HSD11B1 (0.68) HSD11B1AKR1C3AKR1C1ALDH1A1HTT
SCHEMBL176860 0.94 HSD11B1 (0.68) HSD11B1AKR1C3AKR1C1ALDH1A1HTT
SCHEMBL394500 0.94 HSD11B1 (0.68) HSD11B1AKR1C3AKR1C1ALDH1A1HTT
SCHEMBL257392 0.94 HSD11B1 (0.68) HSD11B1AKR1C3AKR1C1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119621-B2 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-21 US disclosed
US-8119621-B2 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-21 US disclosed
US-8119621-B2 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-21 US disclosed
US-20100279991-A1 TETRAHYDRO-CYCLOPENTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 US disclosed
US-20100279991-A1 TETRAHYDRO-CYCLOPENTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 US disclosed
US-20100279991-A1 TETRAHYDRO-CYCLOPENTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-11-04 US disclosed
US-7790718-B2 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 US disclosed
US-7790718-B2 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 US disclosed
US-7790718-B2 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA NV (BE) 2010-09-07 US disclosed
EP-1937646-A1 TETRAHYDRO-CYCLOPENTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP disclosed
US-20070191362-A1 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 US disclosed
US-20070191362-A1 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 US disclosed
US-20070191362-A1 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 US disclosed
WO-2007035945-A1 TETRAHYDRO-CYCLOPENTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-29 WO disclosed
WO-2007035945-A1 TETRAHYDRO-CYCLOPENTYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-29 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-20070191362-A1 Tetrahydro-cyclopentyl pyrazole cannabinoid modulators CNR1, CNR2, GPR18 HSD11B1 669/4885AKR1C3 1607/4885AKR1C1 2135/4885
US-20100279991-A1 TETRAHYDRO-CYCLOPENTYL PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, GPR18 HSD11B1 669/4885AKR1C3 1607/4885AKR1C1 2135/4885

“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.