SCHEMBL1199727

SCHEMBL1199727

CC(C)(NCCc1cccc(Br)c1)C(=O)OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
CHRM3 P20309 3/20 0.41
CNR1 P21554 1/20 0.39
CHRM2 P08172 2/20 0.38
GLA P06280 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP19A1 P11511 1/20 0.38
KMT2A Q03164 2/20 0.37
CHRM1 P11229 1/20 0.37
PTGES O14684 1/20 0.37
CA2 P00918 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL1200148 0.81 LIPG (0.44) TAAR1GLACYP19A1CA2
SCHEMBL27922371 0.80 CYP19A1 (0.38) TAAR1CHRM3GLANPC1RAB9A
SCHEMBL1134020 0.78 TAAR1 (0.55) TAAR1CNR1GLANPC1RAB9A
SCHEMBL1133987 0.77 LMNA (0.39) CHRM3CHRM2KMT2ACHRM1PTGES
SCHEMBL14857134 0.77 CYP19A1 (0.39) CHRM3NPC1RAB9ACYP19A1KMT2A
SCHEMBL1199017 0.76 CACNA1B (0.47) NPC1RAB9ACYP19A1KMT2AMEN1
SCHEMBL14991463 0.75 TPSAB1 (0.41) CHRM3NPC1RAB9ACYP19A1KMT2A
SCHEMBL1200134 0.75 CHEK1 (0.54) KMT2AMEN1
SCHEMBL1200268 0.75 NPY1R (0.41) CHRM3NPC1RAB9ACYP19A1
SCHEMBL13667957 0.73 CHEK1 (0.31) KMT2AMEN1

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-20110046210-A1 SUBSTITUTED THIOPENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2011-02-24 US disclosed
US-20110046210-A1 SUBSTITUTED THIOPENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2011-02-24 US disclosed
WO-2009130475-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD., (GB) 2009-10-29 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 (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-20110046210-A1 SUBSTITUTED THIOPENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS IKBKE, CSNK1A1, CSNK1E TAAR1 1648/4885CHRM3 1300/4885CNR1 715/4885

“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.