SCHEMBL19658671

SCHEMBL19658671

CC(=O)N(C)CC1CCN(CC2CCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM5 P08912 2/20 0.40
ADRA2C P18825 1/20 0.40
HTR4 Q13639 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL19658480 0.97 ACHE (0.47) ACHESMN1; SMN2CHRM5ADRA2CHTR4
SCHEMBL19658487 0.95 ACHE (0.50) ACHESMN1; SMN2CHRM5ADRA2CHTR4
SCHEMBL12010818 0.89 CHRM5 (0.46) ACHESMN1; SMN2CHRM5ADRA2CHRH3
SCHEMBL19658599 0.86 KDM4E (0.40) ACHEHTR4
SCHEMBL12010842 0.86 HRH3 (0.44) ACHESMN1; SMN2CHRM5ADRA2CHRH3
SCHEMBL19658670 0.84 MGLL (0.39) ACHESMN1; SMN2HTR4HRH3
SCHEMBL19652172 0.83 ACHE (0.40) ACHESMN1; SMN2CHRM5ADRA2CHTR4
SCHEMBL14530950 0.81 SMN1; SMN2 (0.46) ACHESMN1; SMN2
SCHEMBL19658604 0.81 NAMPT (0.39) ACHEHTR4
SCHEMBL19658488 0.80 ACHE (0.44) ACHESMN1; SMN2CHRM5ADRA2CHTR4

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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 ACHE 2649/4885SMN1; SMN2 1221/4885CHRM5 1660/4885

“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.