SCHEMBL1805474

SCHEMBL1805474

CCOC(=O)CCC1(c2cc(Cl)cc(Cl)c2)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
SLC6A2 P23975 3/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 3/20 0.34
OPRM1 P35372 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL14944334 0.86 L3MBTL1 (0.46) TSHRMEN1KMT2ASLC6A4SLC6A3
SCHEMBL8484148 0.81 GAA (0.50) LMNAMEN1KMT2AGAASMN1; SMN2
SCHEMBL435377 0.81 SLC6A3 (0.51) KMT2ASLC6A4SLC6A3SLC6A2CNR2
SCHEMBL437413 0.80 EPHX2 (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL8485288 0.79 GAA (0.51) LMNAMEN1KMT2AGAASMN1; SMN2
SCHEMBL1807144 0.78 HSD11B1 (0.54) LMNAMEN1KMT2AGAANPSR1
SCHEMBL12653434 0.78 L3MBTL1 (0.43) KAT2BTSHRSLC6A4SLC6A3SLC6A2
SCHEMBL12000527 0.76 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2
SCHEMBL3545231 0.74 GAA (0.38) TSHRMEN1KMT2AGAASMN1; SMN2
SCHEMBL12894890 0.73 SLC6A4 (0.51) LMNAMEN1KMT2AGAASMN1; 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
CN-102686571-B tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB CO. (US) 2015-11-25 CN disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
CN-102686571-A Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO 2012-09-19 CN disclosed
EP-2493866-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2012-09-05 EP disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 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-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R KAT2B 3389/4885TSHR 619/4885NPC1 936/4885

“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.