SCHEMBL30355706

SCHEMBL30355706

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccc5ncccc5c4)no3)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.39
▸ MET P08581 3/20 0.37
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ UTRN P46939 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ TP53 P04637 3/20 0.36
▸ PKM P14618 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KLF5 Q13887 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MCL1 Q07820 1/20 0.35

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
SCHEMBL23524350 1.00 S1PR1 (0.39) S1PR1METNPC1RAB9APOLB
SCHEMBL23524215 0.87 S1PR1 (0.40) S1PR1NPC1RAB9APOLBCNR1
SCHEMBL30355362 0.87 S1PR1 (0.40) S1PR1NPC1RAB9APOLBCNR1
SCHEMBL23523728 0.85 S1PR1 (0.41) S1PR1NPC1RAB9APOLBCNR1
SCHEMBL23524135 0.85 CNR1 (0.39) S1PR1NPC1RAB9APOLBCNR1
SCHEMBL30355589 0.85 S1PR1 (0.41) S1PR1NPC1RAB9APOLBCNR1
SCHEMBL23524184 0.85 S1PR1 (0.39) S1PR1NPC1RAB9ACNR1CNR2
SCHEMBL30355658 0.85 S1PR1 (0.39) S1PR1NPC1RAB9ACNR1CNR2
SCHEMBL20588066 0.84 S1PR1 (0.41) S1PR1NPC1RAB9APOLBCNR1
SCHEMBL23524064 0.84 CNR1 (0.38) S1PR1NPC1RAB9APOLBCNR1

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 S1PR1 1/4885MET 2064/4885NPC1 301/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885MET 2357/4885NPC1 311/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885MET 2064/4885NPC1 301/4885

“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