SCHEMBL25514103

SCHEMBL25514103

CN1CCc2[nH]c3cc(S(C)(C)C)ccc3c2CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ CHRNA7 P36544 1/20 0.48
▸ DRD2 P14416 9/20 0.47
▸ DRD1 P21728 9/20 0.47
▸ DRD5 P21918 9/20 0.47
▸ DRD3 P35462 8/20 0.47
▸ DRD4 P21917 4/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GMNN O75496 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ADRA1D P25100 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ ADRA1B P35368 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ BLM P54132 1/20 0.47

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
SCHEMBL25512661 0.89 HTR6 (0.52) HTR6KDM4ECHRNA7DRD2DRD1
SCHEMBL25513636 0.87 HTR6 (0.45) HTR6KDM4ECHRNA7DRD2DRD1
SCHEMBL25514115 0.85 HTR6 (0.48) HTR6KDM4ECHRNA7DRD2DRD1
SCHEMBL25512786 0.82 HTR6 (0.48) HTR6KDM4ECHRNA7DRD2DRD1
SCHEMBL25513558 0.82 HTR6 (0.48) HTR6KDM4ECHRNA7DRD2DRD1
SCHEMBL25512689 0.81 L3MBTL1 (0.61) KDM4ECHRNA7DRD2DRD1DRD5
SCHEMBL25513613 0.79 KDM4E (0.50) HTR6KDM4ECHRNA7DRD2DRD1
SCHEMBL25192385 0.77 CYP2D6 (0.64) HTR6KDM4ECHRNA7DRD2DRD1
SCHEMBL29564708 0.77 CYP2D6 (0.64) HTR6KDM4ECHRNA7DRD2DRD1
SCHEMBL25419634 0.77 KDM4E (0.48) HTR6KDM4ECHRNA7DRD2DRD1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159544-A1 AZEPINO-INDOLES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS TERRAN BIOSCIENCES INC (US) 2023-05-25 — — 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 (1 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-20230159544-A1 AZEPINO-INDOLES FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS TPH2, TPH1, SLC18A2 HTR6 31/4885KDM4E 780/4885CHRNA7 167/4885

“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.

Send feedback