SCHEMBL16301205

SCHEMBL16301205

C=Cc1ccc2c(c1)CCc1nc(-c3noc(-c4ccccc4)c3CF)oc1-2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.44
S1PR3 Q99500 12/20 0.44
CYP2C8 P10632 2/20 0.30
CYP2C9 P11712 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
CYP3A4 P08684 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL16301206 0.91 S1PR1 (0.46) S1PR1S1PR3CYP2C8CYP2C9HCAR2
SCHEMBL16301190 0.86 S1PR1 (0.47) S1PR1S1PR3CYP2C8CYP2C9HCAR2
SCHEMBL11971233 0.85 S1PR1 (0.53) S1PR1S1PR3CYP2C8CYP3A4KCNH2
SCHEMBL16301177 0.83 CYP1A2 (0.50) S1PR1S1PR3CYP2C9CYP3A4
SCHEMBL11971191 0.81 S1PR1 (0.62) S1PR1S1PR3CYP2C8CYP3A4KCNH2
SCHEMBL16301178 0.80 S1PR1 (0.47) S1PR1S1PR3CYP2C8CYP3A4KCNH2
SCHEMBL1806740 0.76 S1PR1 (0.55) S1PR1S1PR3CYP2C8CYP3A4KCNH2
SCHEMBL16301180 0.72 S1PR1 (0.46) S1PR1S1PR3
SCHEMBL1806881 0.72 S1PR1 (0.64) S1PR1S1PR3CYP2C8CYP3A4KCNH2
SCHEMBL1808515 0.70 S1PR1 (0.57) S1PR1S1PR3CYP2C8CYP3A4KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US 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 S1PR1 1/4885S1PR3 2/4885CYP2C8 2879/4885

“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.