SCHEMBL4395886

SCHEMBL4395886

O=C(C(Cc1ccccc1)C1=COCO1)N1CCCC(O)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
TSHR P16473 4/20 0.47
MAPK1 P28482 1/20 0.47
CHRM1 P11229 10/20 0.45
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.40
DPP7 Q9UHL4 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
VNN1 O95497 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
SCHEMBL5743847 0.81 ACE (0.55) TSHR
SCHEMBL4528488 0.81 L3MBTL1 (0.49) HPGDTSHRCHRM1GAA
SCHEMBL4391732 0.77 ALDH1A1 (0.51) HPGDTSHRALDH1A1KMT2AMEN1
SCHEMBL4031425 0.76 PPARA (0.57)
SCHEMBL1462830 0.76 CYP1A2 (0.44) CHRM1ALDH1A1
Hydrochloric Acid SCHEMBL6162439 0.76 HDAC8 (0.58) HPGDTSHRMAPK1ALDH1A1KMT2A
SCHEMBL4380565 0.75 CHRM1 (0.51) CHRM1ALDH1A1
SCHEMBL8883817 0.74 CHRM1 (0.43) CHRM1ALDH1A1
Hydrochloric Acid SCHEMBL4383425 0.74 CHRM1 (0.50) CHRM1ALDH1A1
SCHEMBL1461890 0.73 EPHX1 (0.41) CHRM1ALDH1A1

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-20090005309-A1 SUBSTITUTED PIPERIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
WO-2008144602-A1 DEUTERATED ZAMIFENACIN DERIVATIVES AUSPEX PHARMACEUTICALS, INC. (US) 2008-11-27 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-20090005309-A1 SUBSTITUTED PIPERIDINES CHRM3, CHRM2, CHRM5 HPGD 877/4885TSHR 299/4885MAPK1 2826/4885

“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.