SCHEMBL23523834

SCHEMBL23523834

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccccc4Cl)no3)ccc2O1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.53
▸ CNR2 P34972 3/20 0.53
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ S1PR1 P21453 3/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ TSHR P16473 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ NR1H4 Q96RI1 2/20 0.38

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
SCHEMBL30355721 1.00 CNR1 (0.53) CNR1CNR2MAOAMAOBHPGD
SCHEMBL23523958 0.89 NR1H4 (0.50) CNR1CNR2S1PR1SMN1; SMN2NPC1
SCHEMBL30355837 0.89 NR1H4 (0.50) CNR1CNR2S1PR1SMN1; SMN2NPC1
SCHEMBL30355558 0.88 CASP3 (0.44) CNR1CNR2HPGDS1PR1SMN1; SMN2
SCHEMBL23523782 0.88 CASP3 (0.44) CNR1CNR2HPGDS1PR1SMN1; SMN2
SCHEMBL23524197 0.87 CNR1 (0.48) CNR1CNR2HPGDSMN1; SMN2NPC1
SCHEMBL30355447 0.86 SMN1; SMN2 (0.55) HPGDS1PR1SMN1; SMN2NPC1RAB9A
SCHEMBL23523917 0.86 SMN1; SMN2 (0.55) HPGDS1PR1SMN1; SMN2NPC1RAB9A
SCHEMBL23524246 0.85 NPC1 (0.50) CNR1CNR2MAOAMAOBSMN1; SMN2
SCHEMBL23524215 0.85 S1PR1 (0.40) CNR1CNR2S1PR1SMN1; SMN2NPC1

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 38/4885MAOA 3934/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CNR1 10/4885CNR2 13/4885MAOA 2931/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CNR1 20/4885CNR2 38/4885MAOA 3934/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CNR1 20/4885CNR2 38/4885MAOA 3934/4885

“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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