SCHEMBL6419985

SCHEMBL6419985

COc1nccnc1C(C)C1=C(CCN2CCC(O)C2)Cc2cc(F)ccc21

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.65
HRH1 P35367 8/20 0.65
KCNH2 Q12809 7/20 0.65
HRH2 P25021 1/20 0.65
CHRM1 P11229 7/20 0.47
CHRM2 P08172 5/20 0.36
CHRM4 P08173 5/20 0.36
CHRM5 P08912 5/20 0.36
CHRM3 P20309 5/20 0.36
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
PDK2 Q15119 2/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL6419970 0.93 CYP2D6 (0.69) CYP2D6HRH1KCNH2HRH2CHRM1
SCHEMBL6280226 0.91 CYP2D6 (0.63) CYP2D6HRH1KCNH2HRH2CHRM1
SCHEMBL6277034 0.91 CYP2D6 (0.63) CYP2D6HRH1KCNH2HRH2CHRM1
SCHEMBL6277449 0.91 CYP2D6 (0.67) CYP2D6HRH1KCNH2HRH2CHRM1
SCHEMBL6279572 0.89 HRH1 (0.61) CYP2D6HRH1KCNH2HRH2CHRM1
SCHEMBL6414680 0.86 CYP2D6 (0.72) CYP2D6HRH1KCNH2HRH2CHRM1
SCHEMBL6413251 0.85 CYP2D6 (0.74) CYP2D6HRH1KCNH2HRH2CHRM1
SCHEMBL6420651 0.82 CYP2D6 (0.65) CYP2D6HRH1KCNH2HRH2CHRM1
SCHEMBL6416310 0.82 CYP2D6 (0.65) CYP2D6HRH1KCNH2HRH2CHRM1
SCHEMBL6422354 0.82 HRH1 (0.50) CYP2D6HRH1KCNH2HRH2CHRM1

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 1 patent. 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

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 CYP2D6 74/4885HRH1 104/4885KCNH2 1127/4885

“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.