SCHEMBL30355496

SCHEMBL30355496

CCC1(CC)CC(=O)c2cc(-c3nc(-c4cncc(OC)c4)no3)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.42
▸ NPC1 O15118 9/20 0.42
▸ MAPT P10636 7/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ S1PR1 P21453 6/20 0.41
▸ TP53 P04637 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL23524274 1.00 RAB9A (0.42) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL30355741 0.89 MAPT (0.54) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL23524290 0.89 MAPT (0.54) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL25865623 0.89 S1PR1 (0.39) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL23524021 0.88 NPC1 (0.57) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL30355598 0.88 NPC1 (0.57) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL23524283 0.88 S1PR1 (0.51) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL30355746 0.88 S1PR1 (0.51) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL30355403 0.87 CNR1 (0.38) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL23523985 0.87 CNR1 (0.38) RAB9ANPC1MAPTSMN1; SMN2HPGD

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 RAB9A 3056/4885NPC1 301/4885MAPT 3799/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 RAB9A 2056/4885NPC1 311/4885MAPT 1551/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 RAB9A 3056/4885NPC1 301/4885MAPT 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