SCHEMBL6740169

SCHEMBL6740169

CN1CCC[C@H]1Cc1ccc2ccn(-c3ccncc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.42
CHRNB2 P17787 3/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNB1 P11230 2/20 0.40
CHRNB3 Q05901 2/20 0.40
CHRNA4 P43681 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 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
SCHEMBL6745970 0.88 CHRNB2 (0.46) HTR6CHRNB2CHRNB4CHRNA3CHRNB1
SCHEMBL6739874 0.86 HTR6 (0.42) HTR6CHRNB2CHRNB4CHRNA3CHRNB1
SCHEMBL6741940 0.82 HTR6 (0.40) HTR6HTR1DHTR1BKCNH2MCHR1
SCHEMBL6742324 0.76 HTR6 (0.45) HTR6HTR1DHTR1B
SCHEMBL6745791 0.76 HTR6 (0.51) HTR6HTR1DHTR1B
SCHEMBL6743248 0.76 HTR6 (0.51) HTR6HTR1DHTR1B
SCHEMBL6745125 0.76 HTR6 (0.43) HTR6HTR1DHTR1BKCNH2
SCHEMBL6948549 0.75 HTR6 (0.44) HTR6HTR1DHTR1B
SCHEMBL6948541 0.75 HTR6 (0.44) HTR6HTR1DHTR1B
SCHEMBL6744614 0.73 HTR6 (0.47) HTR6HTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167158-A1 Heterocyclic compounds for the treatment of migraine NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-08-26 US disclosed
US-6716837-B1 INDOLE AND INDAZOLE COMPOUNDS NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-04-06 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-20040167158-A1 Heterocyclic compounds for the treatment of migraine SCN7A, CNR2, HTR7 HTR6 237/4885CHRNB2 50/4885CHRNB4 44/4885

“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.