SCHEMBL23523946

SCHEMBL23523946

CC(C)n1ccc2cc(-c3noc(-c4ccccc4F)n3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.56
RAB9A P51151 12/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NFKB1 P19838 3/20 0.56
NFKB2 Q00653 3/20 0.56
RELA Q04206 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
PKM P14618 2/20 0.54
MAPK1 P28482 2/20 0.54
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
MAOA P21397 1/20 0.50
BLVRB P30043 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
GAA P10253 1/20 0.49
HTT P42858 1/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43

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
SCHEMBL30355517 1.00 NPC1 (0.56) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL23524328 0.87 NPC1 (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL30355372 0.87 NPC1 (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL30355707 0.86 SMN1; SMN2 (0.56) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL23524341 0.86 SMN1; SMN2 (0.56) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL23523741 0.85 S1PR1 (0.44) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL30355537 0.85 S1PR1 (0.44) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL23524313 0.85 NPC1 (0.43) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL23524352 0.84 SMN1; SMN2 (0.58) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL30355360 0.84 SMN1; SMN2 (0.58) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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 9 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
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 (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 NPC1 301/4885RAB9A 3056/4885KMT2A 2682/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 311/4885RAB9A 2056/4885KMT2A 1179/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885KMT2A 2682/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885KMT2A 2682/4885

“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.