SCHEMBL7252913

SCHEMBL7252913

CN1CCC[C@@H]1Cn1ccc2ccc(-c3ccsc3)cc21

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.59
▸ HTR6 P50406 5/20 0.58
▸ HTR1D P28221 1/20 0.57
▸ NOS3 P29474 9/20 0.43
▸ NOS1 P29475 9/20 0.43
▸ NOS2 P35228 6/20 0.42
▸ DRD2 P14416 2/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ CHRNB1 P11230 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNB3 Q05901 1/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.36

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
SCHEMBL7252917 1.00 HTR7 (0.59) HTR7HTR6HTR1DNOS3NOS1
SCHEMBL7699226 0.97 HTR7 (0.58) HTR7HTR6HTR1DNOS3NOS1
SCHEMBL7252947 0.84 HTR7 (0.53) HTR7HTR6HTR1DNOS3NOS1
SCHEMBL7253245 0.81 HTR6 (0.60) HTR7HTR6HTR1DNOS3NOS1
SCHEMBL7253243 0.81 HTR6 (0.60) HTR7HTR6HTR1DNOS3NOS1
SCHEMBL7252886 0.81 HTR7 (0.42) HTR7HTR6HTR1DDRD2DRD3
SCHEMBL7253030 0.78 HTR6 (0.59) HTR6HTR1DCHRNB1CHRNB2CHRNB4
SCHEMBL7253026 0.78 HTR6 (0.59) HTR6HTR1DCHRNB1CHRNB2CHRNB4
SCHEMBL7253409 0.78 HTR6 (0.59) HTR6HTR1DCHRNB1CHRNB2CHRNB4
SCHEMBL7253410 0.77 HTR6 (0.67) HTR7HTR6NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020169322-A1 Use of N-alkylamino-heterocylic compounds for the treatment of migraine NPS ALLEXLIX CORP. 2002-11-14 — — US claimed
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 73/4885HTR6 368/4885HTR1D 128/4885

“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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