SCHEMBL12142187

SCHEMBL12142187

CCCCOCCCN1CCC(C(C)(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.36
▸ HRH3 Q9Y5N1 7/20 0.35
▸ CNOT7 Q9UIV1 1/20 0.33
▸ GBA1 P04062 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HRH2 P25021 2/20 0.32
▸ HRH1 P35367 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ADRA2C P18825 1/20 0.32

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
SCHEMBL23922125 0.79 NPC1 (0.34) KMT2ANPC1RAB9AMEN1
SCHEMBL12143446 0.79 KMT2A (0.35) KMT2AHRH3CNOT7GBA1RXFP1
SCHEMBL17517145 0.76 PIK3CD (0.35) KMT2ANPC1RAB9AMEN1CHRM2
SCHEMBL14749921 0.76 PIK3CD (0.35) KMT2ANPC1RAB9AMEN1CHRM2
SCHEMBL20034984 0.71 PIK3CD (0.34) KMT2AMEN1CHRM2CHRM4CHRM5
SCHEMBL9126070 0.69 SMN1; SMN2 (0.45) KMT2ARAB9AMEN1ALDH1A1
SCHEMBL27739328 0.69 ACHE (0.41) KMT2ARXFP1MEN1ALDH1A1CYP2D6
SCHEMBL15199072 0.68 PER2 (0.35) KMT2AMEN1KCNH2
SCHEMBL8391427 0.68 DPP4 (0.38) KMT2AHRH3CNOT7RXFP1HRH2
SCHEMBL20894928 0.67 PIK3CD (0.55) KMT2AGBA1MEN1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 — — US disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 — — US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 — — US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 — — 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S KMT2A 2693/4885HRH3 264/4885CNOT7 1906/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S KMT2A 2693/4885HRH3 264/4885CNOT7 1906/4885

“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.

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