SCHEMBL3765768

SCHEMBL3765768

CCc1sc(N2CCNCC2)nc1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.72
ALDH1A1 P00352 7/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 1/20 0.46
CETP P11597 1/20 0.46
HSD17B10 Q99714 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.43
SCN4A P35499 1/20 0.43
SCN9A Q15858 1/20 0.43
ALOX5 P09917 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL19051399 0.86 AR (0.76) ARALDH1A1MAPTNPSR1HPGD
SCHEMBL17014756 0.84 AR (1.00) ARALDH1A1MAPTNPSR1HPGD
SCHEMBL3765687 0.82 AR (0.70) ARALDH1A1NPSR1HPGDHSD17B10
SCHEMBL3768315 0.81 AR (0.67) ARALDH1A1MAPTNPSR1HPGD
SCHEMBL3156416 0.79 ALDH1A1 (0.49) ARALDH1A1NPSR1HPGDSCN4A
SCHEMBL1303004 0.78 CETP (0.56) ARALDH1A1HPGDCETPSCN4A
SCHEMBL1302539 0.78 CETP (0.77) ARALDH1A1MAPTNPSR1HPGD
Hydrochloric Acid SCHEMBL1304192 0.77 CETP (0.76) ARALDH1A1MAPTNPSR1HPGD
SCHEMBL3767883 0.74 CKS1B (0.61) ARALDH1A1MAPTNPSR1
SCHEMBL11466220 0.70 ALDH1A1 (0.67) ALDH1A1MAPTNPSR1HPGDHSD17B10

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-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 AR 2900/4885ALDH1A1 353/4885MAPT 3805/4885

“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.