SCHEMBL6739874

SCHEMBL6739874

CN1CCC[C@H]1Cc1ccc2ccn(-c3ccc(F)cc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.42
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
KCNH2 Q12809 3/20 0.38
MCHR1 Q99705 2/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB3 Q05901 1/20 0.38
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 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
SCHEMBL6740169 0.86 HTR6 (0.42) HTR6KCNH2MCHR1CHRNB1CHRNB2
SCHEMBL6741940 0.82 HTR6 (0.40) HTR6KCNH2MCHR1HTR1DHTR1B
SCHEMBL6745970 0.81 CHRNB2 (0.46) HTR6CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL11371807 0.78 ADRA1A (0.50) ADRA1AHRH1ADRA1BCHRNB1CHRNB2
SCHEMBL6745791 0.76 HTR6 (0.51) HTR6HTR1DHTR1B
SCHEMBL6742324 0.76 HTR6 (0.45) HTR6ADRA1AADRA1BHTR1DHTR1B
SCHEMBL6743248 0.76 HTR6 (0.51) HTR6HTR1DHTR1B
SCHEMBL6948541 0.75 HTR6 (0.44) HTR6ADRA1AADRA1BHTR1DHTR1B
SCHEMBL6948549 0.75 HTR6 (0.44) HTR6ADRA1AADRA1BHTR1DHTR1B
SCHEMBL6745125 0.74 HTR6 (0.43) HTR6ADRA1AADRA1BKCNH2HTR1D

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 237/4885ADRA1A 736/4885HRH1 45/4885

“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.