SCHEMBL15523743

SCHEMBL15523743

COC(=O)CCC(=O)N1CCCc2c(Br)cccc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.61
USP2 O75604 2/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 4/20 0.44
ALDH1A1 P00352 3/20 0.43
UCHL1 P09936 1/20 0.41

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
SCHEMBL29476272 0.82 NOTUM (0.50) NOTUMMAPTMEN1KMT2ALMNA
SCHEMBL23540234 0.82 NOTUM (0.50) NOTUMMAPTMEN1KMT2ALMNA
SCHEMBL13737007 0.82 MAPT (0.47) NOTUMMAPTMEN1KMT2ALMNA
SCHEMBL23539985 0.81 NOTUM (0.43) NOTUMPKMMEN1KMT2AGAA
SCHEMBL13738685 0.80 MEN1 (0.42) NOTUMPKMMEN1KMT2ATSHR
SCHEMBL15966371 0.78 NOTUM (0.62) NOTUMMEN1KMT2ATSHRUCHL1
SCHEMBL13735105 0.77 MAPT (0.76) MAPTMEN1KMT2ALMNAGAA
SCHEMBL21598459 0.76 MEN1 (0.46) NOTUMMAPTMEN1KMT2AGAA
SCHEMBL13737285 0.76 UCHL1 (0.40) NOTUMMAPTMEN1KMT2ALMNA
SCHEMBL2280011 0.76 NOTUM (1.00) NOTUMUSP2PKMMAPTMEN1

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-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 US disclosed
CN-103619817-A Novel bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL MYERS SQUIBB CO 2014-03-05 CN 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-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 NOTUM 1860/4885USP2 2847/4885PKM 3334/4885

“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.