SCHEMBL23524197

SCHEMBL23524197

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccc(Cl)cc4)no3)ccc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.44
▸ NPC1 O15118 8/20 0.42
▸ RAB9A P51151 7/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ CASP3 P42574 4/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 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
SCHEMBL23523716 0.90 NPC1 (0.43) NR1H4NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30355571 0.90 NPC1 (0.43) NR1H4NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL23524246 0.90 NPC1 (0.50) CNR1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL23523721 0.89 NPC1 (0.38) CNR1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL30355740 0.89 MAPT (0.43) CNR1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL23523871 0.89 MAPT (0.43) CNR1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL23524003 0.89 S1PR1 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23524290 0.88 MAPT (0.54) NR1H4NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL23523989 0.88 MAPT (0.42) CNR1CNR2NR1H4NPC1RAB9A
SCHEMBL23523852 0.88 NPC1 (0.37) CNR1CNR2NPC1RAB9ASMN1; SMN2

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 38/4885NR1H4 730/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CNR1 10/4885CNR2 13/4885NR1H4 639/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CNR1 20/4885CNR2 38/4885NR1H4 730/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CNR1 20/4885CNR2 38/4885NR1H4 730/4885

“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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