SCHEMBL1506256

SCHEMBL1506256

COc1ncc(-c2ccc(C3CC(CN4CCC[C@H]4C)C3)cc2)c(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.40
KCNH2 Q12809 3/20 0.40
QPCT Q16769 1/20 0.37
QPCTL Q9NXS2 1/20 0.37
HSD11B1 P28845 1/20 0.37
PPARD Q03181 1/20 0.37
MTOR P42345 1/20 0.35
HTR3A P46098 2/20 0.33
P2RX3 P56373 1/20 0.33
MDM2 Q00987 1/20 0.33
BMPR1A P36894 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33

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
SCHEMBL1506253 1.00 HRH3 (0.40) HRH3KCNH2QPCTQPCTLHSD11B1
SCHEMBL1498047 0.86 HRH3 (0.40) HRH3KCNH2QPCTQPCTLHSD11B1
SCHEMBL2831685 0.86 HRH3 (0.40) HRH3KCNH2QPCTQPCTLHSD11B1
SCHEMBL5140053 0.86 HRH3 (0.40) HRH3KCNH2QPCTQPCTLHSD11B1
SCHEMBL1498096 0.86 HRH3 (0.40) HRH3KCNH2QPCTQPCTLHSD11B1
SCHEMBL4892041 0.86 HRH3 (0.40) HRH3KCNH2QPCTQPCTLHSD11B1
SCHEMBL1498072 0.86 HRH3 (0.40) HRH3KCNH2QPCTQPCTLHSD11B1
SCHEMBL1506290 0.86 HRH3 (0.46) HRH3KCNH2HTR3A
SCHEMBL1506288 0.86 HRH3 (0.46) HRH3KCNH2HTR3A
SCHEMBL1506228 0.83 HRH3 (0.51) HRH3KCNH2QPCTQPCTLHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298734-A2 Cyclobutyl amine derivatives Abbott Laboratories (US) 2011-03-23 EP claimed
US-20090227593-A1 CYCLOBUTYL AMINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-09-10 US claimed
US-7553964-B2 Cyclobutyl amine derivatives ABBOTT LABORATORIES (US) 2009-06-30 US claimed
US-20070078133-A1 Cyclobutyl amine derivatives ABBVIE INC. 2007-04-05 US claimed
EP-2298734-A2 Cyclobutyl amine derivatives Abbott Laboratories (US) 2011-03-23 EP disclosed
US-20090227593-A1 CYCLOBUTYL AMINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-09-10 US disclosed
US-7553964-B2 Cyclobutyl amine derivatives ABBOTT LABORATORIES (US) 2009-06-30 US disclosed
US-20070078133-A1 Cyclobutyl amine derivatives ABBVIE INC. 2007-04-05 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 (2 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-20090227593-A1 CYCLOBUTYL AMINE DERIVATIVES HRH2, HRH4, HRH3 HRH3 3/4885KCNH2 1616/4885QPCT 876/4885
US-20070078133-A1 Cyclobutyl amine derivatives HRH2, HRH4, HRH3 HRH3 3/4885KCNH2 1616/4885QPCT 876/4885

“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.