SCHEMBL23523990

SCHEMBL23523990

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccccc4OC)ns3)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ PTPRC P08575 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ CTSD P07339 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ S1PR1 P21453 8/20 0.33
▸ KLK7 P49862 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL30355512 1.00 CNR1 (0.40) CNR1CNR2KDM4ESMN1; SMN2HSD17B10
SCHEMBL20587491 0.93 CNR1 (0.40) CNR1CNR2KDM4ESMN1; SMN2HSD17B10
SCHEMBL29673274 0.93 CNR1 (0.40) CNR1CNR2KDM4ESMN1; SMN2HSD17B10
SCHEMBL30355892 0.84 KDM4E (0.42) CNR1CNR2KDM4ESMN1; SMN2HSD17B10
SCHEMBL23524346 0.84 KDM4E (0.42) CNR1CNR2KDM4ESMN1; SMN2HSD17B10
SCHEMBL23523917 0.83 SMN1; SMN2 (0.55) KDM4ESMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL30355447 0.83 SMN1; SMN2 (0.55) KDM4ESMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL25856287 0.81 SMN1; SMN2 (0.51) KDM4ESMN1; SMN2HSD17B10ALDH1A1HPGD
SCHEMBL23524423 0.81 CNR1 (0.40) CNR1CNR2KDM4ESMN1; SMN2HSD17B10
SCHEMBL30355702 0.81 CNR1 (0.40) CNR1CNR2KDM4ESMN1; SMN2HSD17B10

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 CNR1 20/4885CNR2 38/4885KDM4E 2644/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CNR1 10/4885CNR2 13/4885KDM4E 1123/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CNR1 20/4885CNR2 38/4885KDM4E 2644/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CNR1 20/4885CNR2 38/4885KDM4E 2644/4885

“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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