SCHEMBL6745970

SCHEMBL6745970

CN1CCC[C@H]1Cc1ccc2ccn(-c3cccnc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.46
CHRNB4 P30926 4/20 0.46
CHRNA3 P32297 4/20 0.46
CHRNB1 P11230 3/20 0.46
CHRNB3 Q05901 3/20 0.46
CHRNA7 P36544 3/20 0.46
CHRNA4 P43681 3/20 0.46
CHRNA1 P02708 2/20 0.46
HTR6 P50406 4/20 0.42
ALDH1A1 P00352 2/20 0.40
CHRNA2 Q15822 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
PSIP1 O75475 1/20 0.40
TRPA1 O75762 1/20 0.40
HTR3B O95264 1/20 0.40
CHRNG P07510 1/20 0.40
MAPT P10636 1/20 0.40
CYP2A6 P11509 1/20 0.40

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
SCHEMBL6740169 0.88 HTR6 (0.42) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL6739874 0.81 HTR6 (0.42) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL6741940 0.80 HTR6 (0.40) HTR6
SCHEMBL12090225 0.76 CHRNB2 (0.62) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL6743248 0.74 HTR6 (0.51) HTR6
SCHEMBL6742324 0.74 HTR6 (0.45) HTR6
SCHEMBL6745791 0.74 HTR6 (0.51) HTR6
SCHEMBL6745125 0.73 HTR6 (0.43) HTR6
SCHEMBL6948541 0.73 HTR6 (0.44) HTR6
SCHEMBL6948549 0.73 HTR6 (0.44) HTR6

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 CHRNB2 50/4885CHRNB4 44/4885CHRNA3 19/4885

“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.