SCHEMBL7252886

SCHEMBL7252886

CN1CCC[C@@H]1Cn1ncc2ccc(-c3ccsc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.42
▸ BRD4 O60885 2/20 0.42
▸ CHRNB1 P11230 3/20 0.39
▸ CHRNB2 P17787 3/20 0.39
▸ CHRNB4 P30926 3/20 0.39
▸ CHRNA3 P32297 3/20 0.39
▸ CHRNB3 Q05901 3/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTR6 P50406 6/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ HRH1 P35367 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35

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
SCHEMBL7258567 0.88 BRD4 (0.39) HTR7BRD4HTR1DDRD2DRD3
SCHEMBL7252913 0.81 HTR7 (0.59) HTR7CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL7252917 0.81 HTR7 (0.59) HTR7CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL27204372 0.78 HTR2A (0.49) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL27165366 0.78 HTR2A (0.49) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL7253656 0.78 HTR7 (0.57) HTR7HTR1DDRD2DRD3
SCHEMBL7253427 0.78 HTR7 (0.55) HTR7HTR1D
SCHEMBL7699226 0.77 HTR7 (0.58) HTR7HTR1DDRD2DRD3HTR6
SCHEMBL31079472 0.77 HTR2A (0.51) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL31079609 0.77 HTR2A (0.51) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3

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-6635639-B2 Treatment or diagnosis of central nervous system conditions NPS ALLELIX CORP. (CA) 2003-10-21 — — US disclosed
US-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine NPS ALLEXLIX CORP. 2002-11-14 — — US disclosed
US-6380242-B1 FOR DIAGNOSIS AND THERAPY OF CENTRAL NERVOUS SYSTEM CONDITIONS NPS ALLELIX CORP. (CA) 2002-04-30 — — 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-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine CNR1, CNR2, KCNH1 HTR7 73/4885BRD4 658/4885CHRNB1 426/4885

“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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