SCHEMBL3401067

SCHEMBL3401067

COC(=O)CC1CCn2c1cc1cc(C(N)=NO)ccc12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.40
S1PR5 Q9H228 2/20 0.38
S1PR4 O95977 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
SCHEMBL3746518 1.00 S1PR1 (0.40) S1PR1S1PR5S1PR4
SCHEMBL948658 0.90 S1PR1 (0.40) S1PR1S1PR5S1PR4
SCHEMBL948657 0.90 S1PR1 (0.40) S1PR1S1PR5S1PR4
SCHEMBL2446506 0.81 S1PR1 (0.46) S1PR1S1PR5S1PR4
SCHEMBL2446502 0.81 S1PR1 (0.46) S1PR1S1PR5S1PR4
SCHEMBL949210 0.73 S1PR1 (0.41) S1PR1
SCHEMBL949211 0.73 S1PR1 (0.41) S1PR1
SCHEMBL948567 0.73 NR1H2 (0.32)
SCHEMBL948569 0.73 NR1H2 (0.32)
SCHEMBL3746526 0.72 ITGB3 (0.35)

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 4/4885S1PR4 5/4885

“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.