SCHEMBL23558397

SCHEMBL23558397

Oc1ccccc1-c1nc(-c2ccc3c(c2)nnn3C2CCCC2)no1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.67
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
CHUK O15111 2/20 0.49
TXNRD1 Q16881 2/20 0.49
NOX4 Q9NPH5 2/20 0.49
HCAR3 P49019 4/20 0.48
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RXFP1 Q9HBX9 3/20 0.42

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
SCHEMBL23523816 0.88 GRM5 (0.67) GRM5CASP3SENP8SENP7SENP6
SCHEMBL20587476 0.88 GRM5 (0.70) GRM5HCAR3MAPTTP53NPC1
SCHEMBL30355823 0.88 GRM5 (0.70) GRM5HCAR3MAPTTP53NPC1
SCHEMBL30355736 0.87 GRM5 (0.69) GRM5HCAR3MAPTTP53MEN1
SCHEMBL23524285 0.87 GRM5 (0.69) GRM5HCAR3MAPTTP53MEN1
SCHEMBL23524288 0.85 GRM5 (0.67) GRM5HCAR3MAPTTP53KDM4E
SCHEMBL30355533 0.85 GRM5 (0.67) GRM5HCAR3MAPTTP53KDM4E
SCHEMBL23523793 0.85 GRM5 (0.64) GRM5CASP3SENP8SENP7SENP6
SCHEMBL30355635 0.85 GRM5 (0.64) GRM5CASP3SENP8SENP7SENP6
SCHEMBL23524398 0.84 GRM5 (0.74) GRM5HCAR3MAPTTP53KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 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-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 GRM5 456/4885CASP3 3079/4885SENP8 3546/4885

“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.