SCHEMBL20587476

SCHEMBL20587476

Brc1ccccc1-c1nc(-c2ccc3c(c2)nnn3C2CCCC2)no1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.70
TP53 P04637 4/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NFKB1 P19838 2/20 0.49
MAPK1 P28482 2/20 0.49
RAB9A P51151 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.48
HCAR3 P49019 4/20 0.46
RXFP1 Q9HBX9 3/20 0.40
S1PR1 P21453 4/20 0.38
S1PR5 Q9H228 1/20 0.38
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL30355823 1.00 GRM5 (0.70) GRM5TP53MAPTSMN1; SMN2NFKB1
SCHEMBL30355736 0.99 GRM5 (0.69) GRM5TP53MAPTSMN1; SMN2NFKB1
SCHEMBL23524285 0.99 GRM5 (0.69) GRM5TP53MAPTSMN1; SMN2NFKB1
SCHEMBL23523919 0.88 GRM5 (0.59) GRM5TP53MAPTSMN1; SMN2NFKB1
SCHEMBL30355518 0.88 GRM5 (0.59) GRM5TP53MAPTSMN1; SMN2NFKB1
SCHEMBL23558397 0.88 GRM5 (0.67) GRM5TP53MAPTRAB9ANPC1
SCHEMBL23523816 0.88 GRM5 (0.67) GRM5TP53MAPTSMN1; SMN2NFKB1
SCHEMBL23524398 0.86 GRM5 (0.74) GRM5TP53MAPTSMN1; SMN2NFKB1
SCHEMBL23524288 0.85 GRM5 (0.67) GRM5TP53MAPTSMN1; SMN2NFKB1
SCHEMBL23523793 0.85 GRM5 (0.64) GRM5TP53MAPTSMN1; SMN2RAB9A

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 12 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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 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
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 US disclosed
WO-2021046183-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. (US) 2021-03-11 WO disclosed
EP-3638235-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME Trevena, Inc. (US) 2020-04-22 EP disclosed
CN-110831593-A Compounds for modulating S1P1 activity and methods of use thereof 特维娜有限公司 2020-02-21 CN disclosed
WO-2018231745-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. (US) 2018-12-20 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 (4 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 456/4885TP53 4030/4885MAPT 3799/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 GRM5 71/4885TP53 4852/4885MAPT 1551/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 GRM5 456/4885TP53 4030/4885MAPT 3799/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 GRM5 456/4885TP53 4030/4885MAPT 3799/4885

“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.