SCHEMBL30355374

SCHEMBL30355374

CCC1(CC)CC(=O)c2cc(-c3nnc(-c4cccnc4C)o3)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ KDM4E B2RXH2 10/20 0.35
▸ ALDH1A1 P00352 8/20 0.35
▸ HPGD P15428 6/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ GAA P10253 3/20 0.35
▸ CASP1 P29466 3/20 0.35
▸ GLA P06280 2/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ ELANE P08246 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
SCHEMBL23524297 1.00 CNR1 (0.38) CNR1CNR2CA1CA2KDM4E
SCHEMBL30355589 0.84 S1PR1 (0.41) CNR1CNR2GAANPC1RAB9A
SCHEMBL23523728 0.84 S1PR1 (0.41) CNR1CNR2GAANPC1RAB9A
SCHEMBL23524135 0.84 CNR1 (0.39) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL30355355 0.84 KDM4E (0.48) CA2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23524270 0.84 KDM4E (0.48) CA2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30355653 0.83 CNR1 (0.38) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL23523829 0.83 CNR1 (0.38) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL23524076 0.82 NPC1 (0.47) CNR1CNR2KDM4EALDH1A1HPGD
SCHEMBL30355716 0.82 NPC1 (0.47) CNR1CNR2KDM4EALDH1A1HPGD

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 CNR1 20/4885CNR2 38/4885CA1 3782/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CNR1 10/4885CNR2 13/4885CA1 715/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CNR1 20/4885CNR2 38/4885CA1 3782/4885

“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.

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