SCHEMBL30355716

SCHEMBL30355716

CCC1(CC)CC(=O)c2cc(-c3nnc(-c4ccccc4OC)o3)ccc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ABCB1 P08183 1/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ BLM P54132 1/20 0.39

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
SCHEMBL23524076 1.00 NPC1 (0.47) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL30355447 0.84 SMN1; SMN2 (0.55) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL25856287 0.84 SMN1; SMN2 (0.51) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL23523917 0.84 SMN1; SMN2 (0.55) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL30355892 0.83 KDM4E (0.42) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL23524346 0.83 KDM4E (0.42) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL23524297 0.82 CNR1 (0.38) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL30355374 0.82 CNR1 (0.38) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL23524423 0.82 CNR1 (0.40) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL30355702 0.82 CNR1 (0.40) NPC1RAB9AKDM4EALDH1A1SMN1; 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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 3056/4885MAPT 3799/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 NPC1 311/4885RAB9A 2056/4885MAPT 1551/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 NPC1 301/4885RAB9A 3056/4885MAPT 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.

Send feedback