SCHEMBL23523972

SCHEMBL23523972

Cc1cccc2nc(-c3ccc4c(c3)nnn4CC(C)C)oc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
NPC1 O15118 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CETP P11597 1/20 0.38
GRM2 Q14416 1/20 0.38
TDO2 P48775 3/20 0.37
POLB P06746 2/20 0.36
APAF1 O14727 1/20 0.36
PTK2 Q05397 5/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 3/20 0.34
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL23524001 0.88 GRM2 (0.47) NPSR1GRM2TDO2POLBAPAF1
SCHEMBL23524212 0.84 GRM2 (0.39) RAB9ANPC1NPSR1SMN1; SMN2GRM2
SCHEMBL23523932 0.83 HPGD (0.41) RAB9ANPC1NPSR1SMN1; SMN2CETP
SCHEMBL23523885 0.79 NPC1 (0.49) RAB9ANPC1SMN1; SMN2CETPPOLB
SCHEMBL23524162 0.79 ALDH1A1 (0.53) RAB9ANPC1NPSR1SMN1; SMN2POLB
SCHEMBL23524120 0.77 GRM2 (0.52) RAB9ANPC1GRM2TDO2POLB
SCHEMBL23524055 0.77 NPC1 (0.48) RAB9ANPC1NPSR1SMN1; SMN2CYP1A2
SCHEMBL30355601 0.77 NPC1 (0.48) RAB9ANPC1NPSR1SMN1; SMN2CYP1A2
SCHEMBL23523729 0.77 GRM2 (0.39) RAB9ANPC1GRM2TDO2POLB
SCHEMBL23523810 0.76 AAK1 (0.36) RAB9ANPC1SMN1; SMN2TDO2ALDH1A1

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 7 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-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 RAB9A 3056/4885NPC1 301/4885NPSR1 27/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 RAB9A 2056/4885NPC1 311/4885NPSR1 30/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 RAB9A 3056/4885NPC1 301/4885NPSR1 27/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 RAB9A 3056/4885NPC1 301/4885NPSR1 27/4885

“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.