SCHEMBL1814130

SCHEMBL1814130

Oc1ccc2c(c1)CCc1c-2noc1-c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 1.00
FABP3 P05413 4/20 0.42
SNCA P37840 1/20 0.42
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2C8 P10632 3/20 0.36
HCAR2 Q8TDS4 3/20 0.36
CYP2C9 P11712 2/20 0.36
S1PR3 Q99500 3/20 0.36
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 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
SCHEMBL5729746 0.73 S1PR1 (0.63) S1PR1KMT2AMEN1ALDH1A1CYP2C8
SCHEMBL1809558 0.72 S1PR1 (1.00) S1PR1KMT2AMEN1CYP2C8HCAR2
SCHEMBL19423247 0.71 FABP3 (0.60) S1PR1FABP3SNCAKMT2AMEN1
SCHEMBL1814755 0.71 S1PR1 (0.71) S1PR1CYP2C8HCAR2CYP2C9S1PR3
SCHEMBL5729236 0.71 S1PR1 (0.60) S1PR1KMT2AMEN1ALDH1A1CYP2C8
SCHEMBL5730054 0.69 S1PR1 (0.73) S1PR1KMT2AMEN1ALDH1A1CYP2C8
SCHEMBL5730238 0.68 S1PR1 (0.67) S1PR1CYP2C8HCAR2CYP2C9S1PR3
SCHEMBL5729648 0.67 S1PR1 (0.60) S1PR1CYP2C8HCAR2CYP2C9S1PR3
SCHEMBL1815185 0.66 S1PR1 (0.64) S1PR1CYP2C8S1PR3CYP3A4KCNH2
SCHEMBL17295136 0.63 FABP3 (0.49) S1PR1FABP3SNCAKMT2AMEN1

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 8 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 claimed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US claimed
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
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
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 S1PR1 1/4885FABP3 2201/4885SNCA 3274/4885

“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.