SCHEMBL3428958

SCHEMBL3428958

CC(C)(C)OC(=O)CC1CCn2c1cc1cc(-c3noc(-c4ccc(C#N)nc4)n3)ccc12

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.59
S1PR5 Q9H228 2/20 0.56
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL3744746 0.88 S1PR1 (0.70) S1PR1S1PR5CPT2CPT1A
SCHEMBL3427172 0.88 S1PR1 (0.70) S1PR1S1PR5CPT2CPT1A
SCHEMBL3743657 0.88 S1PR1 (0.70) S1PR1S1PR5CPT2CPT1A
SCHEMBL3429272 0.86 S1PR1 (0.68) S1PR1S1PR5
SCHEMBL3426941 0.85 S1PR1 (0.67) S1PR1S1PR5
SCHEMBL3428464 0.85 S1PR1 (0.81) S1PR1S1PR5
SCHEMBL3429706 0.85 S1PR1 (0.82) S1PR1S1PR5
SCHEMBL3430740 0.83 S1PR1 (0.82) S1PR1S1PR5
SCHEMBL3752419 0.83 S1PR1 (0.82) S1PR1S1PR5
SCHEMBL946556 0.83 S1PR1 (0.79) S1PR1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252615-A1 DIHYDRO- 1H- PYRROLO [1,2-A]INDOL-1-YL CARBOXYLIC DERIVATIVES WHICH ACT AS S1P1 AGONISTS Arena Pharmaceuticals, Inc. (US) 2010-11-24 EP disclosed
US-20100292233-A1 DIHYDRO-1H-PYRROLO[1,2-A]INDOL-1-YL CARBOXYLIC ACID DERIVATIVES WHICH ACT AS S1P1 AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
WO-2009094157-A1 DIHYDRO- 1H- PYRROLO [1,2-A] INDOL-1-YL CARBOXYLIC DERIVATIVES WHICH ACT AS S1P1 AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2009-07-30 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-20100292233-A1 DIHYDRO-1H-PYRROLO[1,2-A]INDOL-1-YL CARBOXYLIC ACID DERIVATIVES WHICH ACT AS S1P1 AGONISTS S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR5 4/4885CPT2 657/4885

“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.