SCHEMBL8996311

SCHEMBL8996311

CC[C@H](CC(N)=O)Nc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.44
CRHR1 P34998 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL8996253 1.00 HTT (0.49) HTTNPC1CRHR1CA12CA1
SCHEMBL8996215 0.84 TDP1 (0.46) CA12ALDH1A1MAPTGAALMNA
SCHEMBL8996229 0.84 TDP1 (0.46) CA12ALDH1A1MAPTGAALMNA
SCHEMBL8996235 0.84 HTT (0.38) HTTALDH1A1MAPTGAAHPGD
SCHEMBL8996290 0.84 HTT (0.38) HTTALDH1A1MAPTGAAHPGD
SCHEMBL3263011 0.83 HTT (0.47) HTTCRHR1CA12CA1CA2
SCHEMBL8996243 0.83 HTT (0.47) HTTCRHR1CA12CA1CA2
SCHEMBL3263015 0.83 HTT (0.47) HTTCRHR1CA12CA1CA2
SCHEMBL8996240 0.81 PKM (0.56) NPC1CA12CA1CA2CA9
SCHEMBL8996236 0.81 PKM (0.56) NPC1CA12CA1CA2CA9

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
EP-1594843-B1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE beta-amino acid derivative TAKASAGO PERFUMERY CO LTD (JP) 2013-05-22 EP disclosed
US-8188307-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-29 US disclosed
US-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE TAKASAGO INTERNATIONAL COPORATION (JP) 2010-02-11 US disclosed
US-7601842-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-13 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 (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-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE AADAT, KMO, ALDH7A1 HTT 2343/4885NPC1 3335/4885CRHR1 2540/4885

“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.