SCHEMBL2845940

SCHEMBL2845940

CC(C)N1CCCN(C(=O)C2CC3(CCN(C(=O)c4cccnc4)CC3)C2)CC1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.79
CHRM2 P08172 1/20 0.48
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CHRNA7 P36544 1/20 0.45
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
CYP3A4 P08684 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2848752 0.96 HRH3 (0.72) HRH3CHRM2MAPK1MEN1MAPT
SCHEMBL2851141 0.90 HRH3 (0.82) HRH3CHRNA7ALDH1A1CYP3A4
SCHEMBL2841312 0.85 HRH3 (0.74) HRH3MEN1KMT2AALDH1A1CYP3A4
SCHEMBL2848589 0.83 HRH3 (0.71) HRH3CHRNA7CYP3A4
SCHEMBL18705009 0.82 MAPK1 (0.64) HRH3MAPK1MEN1MAPTKMT2A
SCHEMBL2843344 0.82 HRH3 (0.74) HRH3CHRM2POLB
SCHEMBL2848734 0.81 HRH3 (0.78) HRH3CHRM2MAPK1ALDH1A1POLB
SCHEMBL2841299 0.78 HRH3 (0.64) HRH3CHRNA7CYP3A4
SCHEMBL2841276 0.76 HRH3 (0.67) HRH3MEN1KMT2ACHRNA7
SCHEMBL13300102 0.76 HRH3 (0.56) HRH3MEN1KMT2ACYP3A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010062245-A1 SPIROCYCLOBUTYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-03 WO claimed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 US claimed
WO-2010062245-A1 SPIROCYCLOBUTYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-03 WO disclosed
WO-2010062245-A1 SPIROCYCLOBUTYL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-06-03 WO disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20100130477-A1 Spirocyclobutyl Piperidine Derivatives ASTRAZENECA AB (SE) 2010-05-27 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-20100130477-A1 Spirocyclobutyl Piperidine Derivatives HRH3, HRH4, HRH2 HRH3 1/4885CHRM2 173/4885MAPK1 3510/4885

“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.