SCHEMBL15523274

SCHEMBL15523274

O=C(N1CCCc2c(Br)cccc21)C1(CO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CNR2 P34972 2/20 0.38
UCHL1 P09936 2/20 0.37
HSD11B1 P28845 1/20 0.37
NOTUM Q6P988 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NSD2 O96028 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL13736528 0.80 MEN1 (0.40) MEN1KMT2ACNR2UCHL1HSD11B1
SCHEMBL13737007 0.77 MAPT (0.47) MEN1KMT2ANOTUMALDH1A1POLB
SCHEMBL21598459 0.77 MEN1 (0.46) MEN1KMT2AUCHL1NOTUMKDM4E
SCHEMBL13737285 0.77 UCHL1 (0.40) MEN1KMT2ACNR2UCHL1HSD11B1
SCHEMBL15523526 0.77 SSTR4 (0.41) MEN1KMT2ACNR2UCHL1NOTUM
SCHEMBL15966371 0.76 NOTUM (0.62) MEN1KMT2AUCHL1NOTUMSMN1; SMN2
SCHEMBL13736717 0.76 MEN1 (0.45) MEN1KMT2AUCHL1NOTUMKDM4E
SCHEMBL13738685 0.75 MEN1 (0.42) MEN1KMT2AUCHL1NOTUMKDM4E
SCHEMBL23539985 0.74 NOTUM (0.43) MEN1KMT2ANOTUMKDM4EALDH1A1
SCHEMBL27953234 0.73 UCHL1 (0.43) MEN1KMT2AUCHL1NOTUMKDM4E

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 6 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

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 MEN1 3428/4885KMT2A 2045/4885CNR2 95/4885

“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.