SCHEMBL14944334

SCHEMBL14944334

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
SLC6A4 P31645 6/20 0.40
SLC6A3 Q01959 6/20 0.40
SLC6A2 P23975 5/20 0.40
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADAMTS5 Q9UNA0 1/20 0.35
P2RX7 Q99572 1/20 0.35
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL12653434 0.92 L3MBTL1 (0.43) L3MBTL1SLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL1805474 0.86 KAT2B (0.36) SLC6A4SLC6A3SLC6A2ALDH1A1TSHR
SCHEMBL14944333 0.83 SLC6A4 (0.40) SLC6A4SLC6A3SLC6A2ALDH1A1TSHR
SCHEMBL437413 0.82 EPHX2 (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL14944332 0.77 POLB (0.52) SLC6A4SLC6A3ALDH1A1MAPTMEN1
SCHEMBL14944331 0.76 SLC6A4 (0.58) SLC6A4SLC6A3SLC6A2ALDH1A1TSHR
SCHEMBL12653435 0.75 PSEN1 (0.38) SLC6A4SLC6A3SLC6A2TSHRCASP1
SCHEMBL12000527 0.75 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2
SCHEMBL14944335 0.74 ALDH1A1 (0.44) SLC6A4SLC6A3ALDH1A1
SCHEMBL21131084 0.71 SLC6A4 (0.49) L3MBTL1SLC6A4SLC6A3SLC6A2ALDH1A1

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
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
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 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-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R L3MBTL1 4429/4885SLC6A4 2800/4885SLC6A3 3263/4885

“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.