SCHEMBL2851141

SCHEMBL2851141

CC(C)N1CCCN(C(=O)C2CC3(CCN(C(=O)c4ccncc4)CC3)C2)CC1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.82
CYP3A4 P08684 10/20 0.55
CYP2D6 P10635 8/20 0.51
CHRNA7 P36544 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 4/20 0.49
HSD17B10 Q99714 3/20 0.49
CYP2C9 P11712 5/20 0.49
USP2 O75604 4/20 0.49
TSHR P16473 2/20 0.49
CYP2C19 P33261 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL2841312 0.96 HRH3 (0.74) HRH3CYP3A4CYP2D6ALDH1A1CYP1A2
SCHEMBL2845940 0.90 HRH3 (0.79) HRH3CYP3A4CHRNA7ALDH1A1
SCHEMBL2848589 0.87 HRH3 (0.71) HRH3CYP3A4CHRNA7
SCHEMBL2848752 0.85 HRH3 (0.72) HRH3ALDH1A1
SCHEMBL2841299 0.82 HRH3 (0.64) HRH3CYP3A4CHRNA7
SCHEMBL2851223 0.80 HRH3 (0.76) HRH3
SCHEMBL2841276 0.79 HRH3 (0.67) HRH3CHRNA7SMN1; SMN2
SCHEMBL2848874 0.79 HRH3 (0.81) HRH3CYP3A4
SCHEMBL2842398 0.77 HRH3 (0.63) HRH3CHRNA7CYP1A2
SCHEMBL2847127 0.76 HRH3 (0.65) HRH3CYP2D6ALDH1A1TSHRCYP2C19

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 1/4885CYP3A4 2164/4885CYP2D6 1679/4885

“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.