SCHEMBL3753862

SCHEMBL3753862

N#Cc1cccc(-c2nc(-c3ccc4c(c3)cc3n4CC[C@H]3CC(=O)O)no2)c1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.77
S1PR5 Q9H228 3/20 0.72
CPT2 P23786 1/20 0.45
CPT1A P50416 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA5 P30532 1/20 0.44
CHRNA4 P43681 1/20 0.44
S1PR4 O95977 1/20 0.43
GRM5 P41594 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL3753387 1.00 S1PR1 (0.77) S1PR1S1PR5CPT2CPT1ACHRNB2
SCHEMBL3428474 1.00 S1PR1 (0.77) S1PR1S1PR5CPT2CPT1ACHRNB2
SCHEMBL950796 0.87 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL3433607 0.87 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL3747647 0.87 S1PR1 (1.00) S1PR1S1PR5S1PR4
SCHEMBL3755388 0.86 S1PR1 (0.80) S1PR1S1PR5
SCHEMBL3426855 0.86 S1PR1 (0.80) S1PR1S1PR5
SCHEMBL3750051 0.86 S1PR1 (0.80) S1PR1S1PR5
SCHEMBL3746061 0.85 S1PR1 (0.79) S1PR1S1PR5S1PR4
SCHEMBL3753888 0.85 S1PR1 (0.79) S1PR1S1PR5S1PR4

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
CN-101981030-A Dihydro- 1H- pyrrolo [1,2-a] indol-1-yl carboxylic derivatives which act as S1P1 agonists ARENA PHARM INC 2011-02-23 CN 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

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.