SCHEMBL337007

SCHEMBL337007

CCc1c(NCC(C)C)c2cc(OC)ccc2n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 19/20 0.56
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
PLA2G1B P04054 1/20 0.47

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
SCHEMBL8236469 0.85 PLA2G2A (0.56) PLA2G2AKMT2A
SCHEMBL344898 0.80 PLA2G2A (0.69) PLA2G2APLA2G1B
SCHEMBL337567 0.78 PLA2G2A (0.61) PLA2G2APLA2G1B
SCHEMBL8235994 0.78 PLA2G2A (0.67) PLA2G2ATSHRMAPK1KMT2APLA2G1B
SCHEMBL7696968 0.76 PLA2G2A (0.74) PLA2G2APLA2G1B
SCHEMBL7694912 0.76 PLA2G2A (0.77) PLA2G2APLA2G1B
SCHEMBL7965041 0.74 PLA2G2A (0.80) PLA2G2APLA2G1B
SCHEMBL10050594 0.73 PLA2G2A (0.58) PLA2G2ATSHRMAPK1KMT2APLA2G1B
SCHEMBL7699729 0.73 PLA2G2A (0.67) PLA2G2ATSHRMAPK1KMT2APLA2G1B
SCHEMBL344897 0.73 PLA2G2A (0.84) PLA2G2APLA2G1B

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
US-8097644-B2 Indole compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2012-01-17 US disclosed
US-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist ALLERGAN, INC. (US) 2007-10-04 US disclosed
WO-2007112322-A2 INDOLE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2007-10-04 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-20070232682-A1 Indole Compounds having sphingosine-1-phosphate (S1P) receptor antagonist S1PR1, S1PR2, S1PR3 PLA2G2A 630/4885TSHR 213/4885MAPK1 1422/4885

“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.