SCHEMBL23523729

SCHEMBL23523729

CC(C)Cn1nnc2cc(-c3nc4c(Cl)cccc4o3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
LMNA P02545 1/20 0.36
PTK2 Q05397 5/20 0.36
TDO2 P48775 1/20 0.34
MAPT P10636 1/20 0.34
USP2 O75604 2/20 0.33
ALOX5AP P20292 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADA P00813 1/20 0.33
POLB P06746 3/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
LTC4S Q16873 1/20 0.32

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
SCHEMBL23524212 0.88 GRM2 (0.39) GRM2LMNAPTK2TDO2MAPT
SCHEMBL23524120 0.88 GRM2 (0.52) GRM2LMNAPTK2TDO2USP2
SCHEMBL20587547 0.86 NPC1 (0.41) GRM2LMNAPTK2MAPTUSP2
SCHEMBL23524027 0.84 HPGD (0.40) LMNAMAPTUSP2ALOX5APALDH1A1
SCHEMBL23523885 0.78 NPC1 (0.49) MAPTALDH1A1MAPK1HSD17B10POLB
SCHEMBL23524162 0.78 ALDH1A1 (0.53) LMNAMAPTALDH1A1MAPK1HSD17B10
SCHEMBL23523972 0.77 RAB9A (0.39) GRM2LMNAPTK2TDO2MAPT
SCHEMBL23523810 0.77 AAK1 (0.36) TDO2ALDH1A1HSD17B10KDM4ERAB9A
SCHEMBL23523794 0.76 MAOA (0.41) TDO2MAPTALDH1A1HSD17B10POLB
SCHEMBL30355689 0.76 MAOA (0.41) TDO2MAPTALDH1A1HSD17B10POLB

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 GRM2 575/4885LMNA 2749/4885PTK2 1083/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 GRM2 56/4885LMNA 2217/4885PTK2 1403/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 GRM2 575/4885LMNA 2749/4885PTK2 1083/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 GRM2 575/4885LMNA 2749/4885PTK2 1083/4885

“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.