SCHEMBL13135886

SCHEMBL13135886

NCC1CN(CC2CCCC2)CCO1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 2/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ ACHE P22303 1/20 0.38
▸ EPHA2 P29317 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ CHEK1 O14757 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ OPRM1 P35372 2/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ OPRL1 P41146 2/20 0.32
▸ OPRD1 P41143 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL16827086 0.88 GBA1 (0.39) GBA1CHEK1DRD4SMN1; SMN2
Hydrochloric Acid SCHEMBL30133735 0.87 GBA1 (0.38) GBA1CHEK1DRD4SMN1; SMN2
SCHEMBL12832367 0.85 CHEK1 (0.31) CHEK1DRD4
SCHEMBL12759024 0.82 NCF1 (0.43) CHEK1DRD4
SCHEMBL1501904 0.81 THRB (0.35) SMN1; SMN2
SCHEMBL1501915 0.79 THRB (0.37) SMN1; SMN2
SCHEMBL1502249 0.76 THRB (0.42) —
SCHEMBL1502295 0.76 HTR4 (0.38) SMN1; SMN2
SCHEMBL3404154 0.76 HTR4 (0.38) SMN1; SMN2
SCHEMBL1037760 0.76 DRD4 (0.36) CHEK1DRD4

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-20100249399-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Sumitomo Pharma Co., Ltd. (JP) 2010-09-30 — — 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-20100249399-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME HTR4, MC2R, HTR1D CHRM5 1562/4885ADRA2C 70/4885ACHE 2746/4885

“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.

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