SCHEMBL3124239

SCHEMBL3124239

O=C(CN1CCOCC1)N(c1ccccc1)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
CHRM3 P20309 3/20 0.47
CHRM2 P08172 2/20 0.47
OPRM1 P35372 7/20 0.46
SIGMAR1 Q99720 2/20 0.46
OPRL1 P41146 1/20 0.46
OPRD1 P41143 8/20 0.46
OPRK1 P41145 5/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC22A1 O15245 1/20 0.45
NR1I2 O75469 1/20 0.45
ABCB1 P08183 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
MAOA P21397 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
SCHEMBL3112449 0.94 SLC6A3 (0.49) ALDH1A1LMNATP53CHRM3CHRM2
SCHEMBL3119135 0.89 CHRM3 (0.50) ALDH1A1CHRM3CHRM2OPRM1SIGMAR1
SCHEMBL3108478 0.88 OPRD1 (0.55) ALDH1A1CHRM3CHRM2OPRM1SIGMAR1
SCHEMBL3106409 0.88 TACR1 (0.44) ALDH1A1LMNATP53CHRM3CHRM2
SCHEMBL3124079 0.88 TACR1 (0.43) ALDH1A1LMNATP53MEN1KMT2A
SCHEMBL3114898 0.88 MEN1 (0.52) ALDH1A1CHRM3CHRM2OPRM1SIGMAR1
SCHEMBL3119758 0.88 MEN1 (0.52) ALDH1A1CHRM3CHRM2OPRM1SIGMAR1
SCHEMBL3114910 0.87 TACR1 (0.54) ALDH1A1LMNATP53OPRM1CHRM1
SCHEMBL3122228 0.86 TACR1 (0.50) ALDH1A1LMNATP53OPRM1
SCHEMBL3109359 0.85 OPRM1 (0.51) CHRM3CHRM2OPRM1SIGMAR1OPRL1

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-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-15 US disclosed
EP-2060563-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-05-20 EP 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-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE HRH2, HRH1, HRH4 ALDH1A1 618/4885LMNA 3236/4885TP53 4835/4885

“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.