SCHEMBL23558407

SCHEMBL23558407

N#Cc1cc(-c2ncc(-c3ccc4c(c3)CCC(=O)C4)o2)ccc1CCCF

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ S1PR1 P21453 2/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ SNCA P37840 1/20 0.32
▸ FAAH O00519 1/20 0.30
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CASP1 P29466 1/20 0.30

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
SCHEMBL25856541 0.71 TRPV1 (0.35) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL23558324 0.71 CYP11B1 (0.39) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL25856711 0.64 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL4972557 0.60 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL25856942 0.60 S1PR1 (0.34) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL23558573 0.58 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL30018898 0.57 DRD2 (0.51) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL2086321 0.57 DRD2 (0.51) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL4970944 0.57 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL23558186 0.56 CYP11B2 (0.41) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2

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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-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 (2 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 CYP1A2 4278/4885CYP3A4 4104/4885CYP2C9 4770/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CYP1A2 4278/4885CYP3A4 4104/4885CYP2C9 4770/4885

“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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