SCHEMBL4240032

SCHEMBL4240032

CCc1n[nH]c(CC)c1Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.59
DHFR P00374 3/20 0.53
LOXL2 Q9Y4K0 1/20 0.44
TTR P02766 1/20 0.44
P2RX7 Q99572 1/20 0.44
CYP4A11 Q02928 2/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 3/20 0.41
CYP4F2 P78329 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL6419682 0.76 NPC1 (0.39) TTRP2RX7NPC1MAPT
SCHEMBL4229319 0.74 AR (1.00) ARDHFRLOXL2TTRP2RX7
SCHEMBL9233976 0.73 DHFR (0.56) ARDHFRLOXL2CA1CA2
SCHEMBL9235625 0.73 DHFR (0.56) ARDHFRLOXL2CYP4A11CA1
SCHEMBL131711 0.73 LOXL2 (0.70) LOXL2CYP4A11CA1CA2CA12
SCHEMBL69454 0.73 LOXL2 (0.70) ARLOXL2CYP4A11CA1CA2
SCHEMBL4610271 0.72 CYP2A6 (0.47) ARLOXL2P2RX7
SCHEMBL28800124 0.71 LOXL2 (0.68) LOXL2CYP4A11CA1CA2CA12
SCHEMBL6078499 0.70 LOXL2 (0.61) ARLOXL2CYP4A11CA1CA2
SCHEMBL19329007 0.69 MAPK1 (0.53) MEN1KMT2AHPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
US-20090270361-A1 Substituted pyrazole derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 WO disclosed
WO-2009119880-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-01 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-20090270361-A1 Substituted pyrazole derivatives and use thereof CBR3, CBR1, NOX5 AR 622/4885DHFR 1650/4885LOXL2 3292/4885

“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.