SCHEMBL23524434

SCHEMBL23524434

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccncc4F)no3)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 11/20 0.41
▸ S1PR3 Q99500 5/20 0.41
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA5 P30532 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ HIPK2 Q9H2X6 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ RARA P10276 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ RARG P13631 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
SCHEMBL30355534 1.00 S1PR1 (0.41) S1PR1S1PR3CHRNB2CHRNA5CHRNA4
SCHEMBL23524301 0.90 S1PR1 (0.53) S1PR1S1PR3CNR1CNR2MAPT
SCHEMBL30355766 0.90 S1PR1 (0.53) S1PR1S1PR3CNR1CNR2MAPT
SCHEMBL30355606 0.89 S1PR1 (0.44) S1PR1S1PR3MAPTNPC1RAB9A
SCHEMBL23523749 0.89 S1PR1 (0.44) S1PR1S1PR3MAPTNPC1RAB9A
SCHEMBL23523935 0.89 S1PR1 (0.41) S1PR1S1PR3CNR1CNR2MAPT
SCHEMBL30355618 0.89 S1PR1 (0.41) S1PR1S1PR3CNR1CNR2MAPT
SCHEMBL23524400 0.88 S1PR1 (0.49) S1PR1S1PR3CNR1CNR2
SCHEMBL30355408 0.88 S1PR1 (0.49) S1PR1S1PR3CNR1CNR2
SCHEMBL23524131 0.88 S1PR1 (0.44) S1PR1S1PR3CNR1CNR2NPC1

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 6 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-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

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 S1PR1 1/4885S1PR3 3/4885CHRNB2 985/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885CHRNB2 217/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885CHRNB2 985/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885CHRNB2 985/4885

“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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