SCHEMBL30355398

SCHEMBL30355398

Cc1ccccc1-c1noc(-c2ccc3c(c2)nnn3C2CCCCC2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.63
S1PR1 P21453 3/20 0.57
S1PR5 Q9H228 1/20 0.57
TP53 P04637 2/20 0.48
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HCAR3 P49019 3/20 0.47
NR1H4 Q96RI1 3/20 0.46

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
SCHEMBL23524054 1.00 GRM5 (0.63) GRM5S1PR1S1PR5TP53NPC1
SCHEMBL23524142 0.99 GRM5 (0.64) GRM5S1PR1S1PR5TP53NPC1
SCHEMBL30355644 0.99 GRM5 (0.64) GRM5S1PR1S1PR5TP53NPC1
SCHEMBL30355675 0.97 GRM5 (0.61) GRM5S1PR1S1PR5TP53NPC1
SCHEMBL23524110 0.97 GRM5 (0.61) GRM5S1PR1S1PR5TP53NPC1
SCHEMBL23523843 0.95 GRM5 (0.58) GRM5S1PR1S1PR5TP53NPC1
SCHEMBL30355772 0.95 GRM5 (0.58) GRM5S1PR1S1PR5TP53NPC1
SCHEMBL23524052 0.91 GRM5 (0.54) GRM5S1PR1S1PR5TP53NPC1
SCHEMBL30355463 0.91 GRM5 (0.54) GRM5S1PR1S1PR5TP53NPC1
SCHEMBL23523816 0.91 GRM5 (0.67) GRM5S1PR1S1PR5TP53NPC1

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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 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 (3 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 GRM5 456/4885S1PR1 1/4885S1PR5 4/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 GRM5 71/4885S1PR1 1/4885S1PR5 4/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 GRM5 456/4885S1PR1 1/4885S1PR5 4/4885

“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.