SCHEMBL3750085

SCHEMBL3750085

O=C(O)C[C@H]1CCn2c1cc1cc(-c3noc(-c4cc(OC(F)(F)F)cc(-c5cccnc5)c4)n3)ccc12

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.73
S1PR5 Q9H228 4/20 0.73
S1PR4 O95977 3/20 0.45
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3750786 1.00 S1PR1 (0.73) S1PR1S1PR5S1PR4NPC1TP53
SCHEMBL3429398 1.00 S1PR1 (0.73) S1PR1S1PR5S1PR4NPC1TP53
SCHEMBL3427316 0.91 S1PR1 (0.61) S1PR1S1PR5S1PR4NPC1TP53
SCHEMBL3431429 0.88 S1PR1 (0.76) S1PR1S1PR5S1PR4
SCHEMBL3749927 0.88 S1PR1 (0.76) S1PR1S1PR5S1PR4
SCHEMBL3745687 0.88 S1PR1 (0.76) S1PR1S1PR5S1PR4
SCHEMBL3743666 0.87 S1PR1 (0.80) S1PR1S1PR5S1PR4
SCHEMBL3428583 0.87 S1PR1 (0.80) S1PR1S1PR5S1PR4
SCHEMBL3745556 0.87 S1PR1 (0.80) S1PR1S1PR5S1PR4
SCHEMBL948509 0.86 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 4/4885S1PR4 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.