SCHEMBL3140906

SCHEMBL3140906

CC1(C)CN(Cc2ccc(Cl)cc2)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
CLPP Q16740 1/20 0.42
ALOX12 P18054 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40
DRD4 P21917 4/20 0.40
TACR1 P25103 2/20 0.40
DRD2 P14416 2/20 0.40
LSS P48449 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM3 P20309 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
SCHEMBL653269 0.86 GAA (0.57) SIGMAR1GAAPOLBTACR1
SCHEMBL16903456 0.77 GAA (0.54) ALDH1A1SIGMAR1GAA
SCHEMBL6580879 0.76 CYP2D6 (0.47) ALDH1A1SIGMAR1CLPPGAA
SCHEMBL941871 0.74 KDM4E (0.62) KDM4EALDH1A1SIGMAR1TACR1LSS
SCHEMBL4364213 0.70 GAA (0.53) SIGMAR1GAAPOLBTACR1
SCHEMBL3909969 0.69 SIGMAR1 (0.49) KDM4EALDH1A1SIGMAR1CLPPGAA
SCHEMBL6581527 0.69 GAA (0.51) ALDH1A1SIGMAR1GAA
SCHEMBL14025005 0.68 LMNA (0.59) KDM4EALDH1A1SIGMAR1LSSCHRM2
SCHEMBL4369263 0.68 GAA (0.50) SIGMAR1GAAPOLBTACR1
SCHEMBL26252667 0.67 KDM4E (0.47) KDM4EALDH1A1SIGMAR1ALOX12GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 US disclosed
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 WO 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-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 KDM4E 1997/4885ALDH1A1 260/4885SIGMAR1 1722/4885

“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.