SCHEMBL2845430

SCHEMBL2845430

O=C(C1CC2(CCN(c3ccccn3)CC2)C1)N1CCN(C2CCC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.71
HSD17B10 Q99714 7/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
CYP2C19 P33261 4/20 0.52
CYP2D6 P10635 3/20 0.52
TSHR P16473 3/20 0.52
MAPK1 P28482 3/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP3A4 P08684 4/20 0.51
KDM4E B2RXH2 2/20 0.50
HTT P42858 1/20 0.50
USP2 O75604 2/20 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
SCHEMBL2851149 0.86 HRH3 (0.63) HRH3CYP3A4KDM4E
SCHEMBL2798237 0.85 HRH3 (0.67) HRH3KDM4EHTT
SCHEMBL2848757 0.85 HRH3 (0.71) HRH3ALDH1A1CYP3A4
SCHEMBL2843303 0.83 HRH3 (1.00) HRH3
SCHEMBL2845202 0.82 HRH3 (0.67) HRH3
SCHEMBL2844348 0.81 HRH3 (0.79) HRH3CYP3A4KDM4E
SCHEMBL2852634 0.81 HRH3 (0.78) HRH3CYP3A4
SCHEMBL2847747 0.79 HRH3 (0.66) HRH3ALDH1A1
SCHEMBL2846135 0.79 HRH3 (1.00) HRH3ALDH1A1KDM4E
SCHEMBL1778180 0.79 KDM4E (0.63) HRH3HSD17B10ALDH1A1HPGDSMN1; SMN2

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 1/4885HSD17B10 2737/4885ALDH1A1 486/4885

“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.