SCHEMBL6278172

SCHEMBL6278172

Cc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1cccnn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.75
CHRM2 P08172 13/20 0.75
CHRM4 P08173 13/20 0.75
CHRM5 P08912 13/20 0.75
CHRM3 P20309 13/20 0.75
HRH1 P35367 11/20 0.67
CYP2D6 P10635 9/20 0.67
KCNH2 Q12809 9/20 0.67
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
DRD1 P21728 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
ADRA1A P35348 1/20 0.56
OPRM1 P35372 1/20 0.56

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
SCHEMBL6419427 0.88 CHRM1 (0.68) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6420614 0.86 CHRM1 (0.74) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6415652 0.86 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6414072 0.83 CHRM2 (0.53) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6416790 0.80 HRH1 (1.00) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6414192 0.78 CHRM2 (0.48) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6416289 0.77 HRH1 (0.78) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6279543 0.74 HRH1 (1.00) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6420947 0.74 CHRM1 (0.57) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL6280343 0.74 CHRM1 (0.60) CHRM1CHRM2CHRM4CHRM5CHRM3

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-20050277645-A1 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-12-15 US disclosed
WO-2005097093-A1 SLEEP INDUCING COMPOUNDS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-20 WO 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-20050277645-A1 Sleep inducing compounds and methods relating thereto CNR1, CNR2, MTNR1B CHRM1 12/4885CHRM2 28/4885CHRM4 97/4885

“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.