SCHEMBL4278447

SCHEMBL4278447

CN1CCCCC1Cc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNA5 P30532 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
PSEN1 P49768 2/20 0.48
PSEN2 P49810 2/20 0.48
APH1B Q8WW43 2/20 0.48
NCSTN Q92542 2/20 0.48
APH1A Q96BI3 2/20 0.48
PSENEN Q9NZ42 2/20 0.48
ADRA1A P35348 3/20 0.46
HRH1 P35367 3/20 0.46
KCNH2 Q12809 3/20 0.46
ADRA1B P35368 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
HTR6 P50406 2/20 0.45
SLC22A1 O15245 1/20 0.45
MLNR O43193 1/20 0.45
NR1I2 O75469 1/20 0.45

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
SCHEMBL11486228 0.98 CHRNB2 (0.48) CHRNB2CHRNA5CHRNA7CHRNA4SIGMAR1
SCHEMBL11369857 0.95 CHRNB2 (0.54) CHRNB2CHRNA5CHRNA7CHRNA4SIGMAR1
SCHEMBL18609741 0.88 CHI3L1 (0.45) CHRNB2CHRNA5CHRNA7CHRNA4KCNH2
SCHEMBL2606119 0.83 ADRA2A (0.53) HTR6ADRA2A
Ammonia Solution, Strong SCHEMBL29771408 0.82 HTR1D (0.49) HTR6
SCHEMBL11474181 0.82 DRD2 (0.48) CHRNB2CHRNA7CHRNA4SIGMAR1HTR6
SCHEMBL11473707 0.82 ALDH1A1 (0.49) SIGMAR1HTR6ADRA2AALDH1A1
SCHEMBL11479223 0.81 KDM4E (0.44) SIGMAR1PSEN1PSEN2APH1BNCSTN
Ammonia Solution, Strong SCHEMBL3645001 0.81 ADRA2A (0.51) HTR6ADRA2A
SCHEMBL25645586 0.81 ADRA2A (0.51) HTR6ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US disclosed
EP-1976841-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2008-10-08 EP disclosed
WO-2007071035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-06-28 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-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS RYR2, CACNA1E, RYR1 CHRNB2 79/4885CHRNA5 189/4885CHRNA7 176/4885

“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.