SCHEMBL703097

SCHEMBL703097

O=CCC(C(=O)O)(c1ccccc1)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.44
CHRM3 P20309 8/20 0.39
CYP2D6 P10635 6/20 0.39
CHRM2 P08172 6/20 0.39
CHRM1 P11229 6/20 0.39
KCNH2 Q12809 4/20 0.39
HTR1A P08908 3/20 0.39
OPRM1 P35372 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
LYPLA2 O95372 1/20 0.37
CHRM4 P08173 4/20 0.37
CHRM5 P08912 4/20 0.37
SIGMAR1 Q99720 2/20 0.37
KDM4E B2RXH2 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL2127685 0.81 CYP2B6 (0.50) CYP2B6CHRM3CYP2D6CHRM2CHRM1
SCHEMBL2128439 0.81 CYP2B6 (0.50) CYP2B6CHRM3CYP2D6CHRM2CHRM1
SCHEMBL327106 0.80 CYP2B6 (0.45) CYP2B6CHRM3CYP2D6CHRM2CHRM1
SCHEMBL23721584 0.79 MEN1 (0.40) CYP2B6CHRM3ALDH1A1KMT2AKDM4E
SCHEMBL7126061 0.77 CYP2B6 (0.45) CYP2B6CHRM3CYP2D6CHRM2CHRM1
SCHEMBL23721510 0.74 L3MBTL1 (0.36) LMNAALDH1A1KMT2ACYP3A4TDP1
SCHEMBL18112743 0.74 CYP2B6 (0.41) CYP2B6CHRM3CYP2D6CHRM2CHRM1
SCHEMBL8330192 0.72 HTT (0.44) CYP2B6LMNATSHRALDH1A1KMT2A
SCHEMBL2125962 0.71 CHRM3 (0.48) CHRM3CYP2D6CHRM2CHRM1KCNH2
SCHEMBL2126336 0.71 CHRM3 (0.48) CHRM3CYP2D6CHRM2CHRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US claimed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US claimed

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-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT CYP2B6 965/4885CHRM3 4708/4885CYP2D6 896/4885

“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.