SCHEMBL3106409

SCHEMBL3106409

O=C(CN1CCOCC1)N(c1ccc(Cl)cc1)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.44
CHRM2 P08172 3/20 0.42
CHRM3 P20309 3/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
SLC6A4 P31645 2/20 0.41
HRH3 Q9Y5N1 1/20 0.39
HTR1A P08908 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KCNH2 Q12809 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL3124079 0.88 TACR1 (0.43) TACR1ALDH1A1MAPTKMT2ATSHR
SCHEMBL3124239 0.88 ALDH1A1 (0.50) CHRM2CHRM3ALDH1A1KMT2ALMNA
SCHEMBL3114910 0.87 TACR1 (0.54) TACR1ALDH1A1TSHRLMNATP53
SCHEMBL3122228 0.86 TACR1 (0.50) TACR1ALDH1A1LMNATP53SLC6A4
SCHEMBL3112449 0.82 SLC6A3 (0.49) CHRM2CHRM3ALDH1A1LMNATP53
SCHEMBL3121674 0.82 OPRM1 (0.39) TACR1ALDH1A1LMNATP53SLC6A4
SCHEMBL926471 0.77 SLC6A4 (0.51) TACR1CHRM3SLC6A4MAOAMAOB
SCHEMBL3108478 0.77 OPRD1 (0.55) CHRM2CHRM3ALDH1A1MAPTKMT2A
SCHEMBL3119135 0.77 CHRM3 (0.50) CHRM2CHRM3ALDH1A1KMT2AMAOA
SCHEMBL11466331 0.76 TACR1 (0.50) TACR1CHRM2CHRM3LMNASLC6A4

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 TACR1 190/4885CHRM2 22/4885CHRM3 60/4885

“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.