SCHEMBL8996384

SCHEMBL8996384

COC(=O)N[C@H]1C[C@@H](C)Nc2ccc(C(F)(F)F)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
HSD17B2 P37059 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
APOB P04114 1/20 0.36
MTTP P55157 1/20 0.36
CFTR P13569 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KIF11 P52732 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
GUSB P08236 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5969109 0.85 HSD17B2 (0.44) CHRNB2CHRNA4HSD17B2CHRNB4CHRNA3
SCHEMBL6272668 0.85 HSD17B2 (0.44) CHRNB2CHRNA4HSD17B2CHRNB4CHRNA3
SCHEMBL5969111 0.85 HSD17B2 (0.44) CHRNB2CHRNA4HSD17B2CHRNB4CHRNA3
SCHEMBL8060977 0.84 KCNQ2 (0.46) KIF11PTGDR2TSHR
SCHEMBL8060970 0.84 KCNQ2 (0.46) KIF11PTGDR2TSHR
SCHEMBL8060971 0.84 KCNQ2 (0.46) KIF11PTGDR2TSHR
SCHEMBL8996350 0.81 GUSB (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CFTR
SCHEMBL8996389 0.77 HSD17B2 (0.45) CHRNB2CHRNA4HSD17B2KIF11KMT2A
SCHEMBL1054468 0.76 HSD17B2 (0.42) CHRNB2CHRNA4HSD17B2CHRNB4CHRNA3
SCHEMBL1176456 0.76 HSD17B2 (0.42) CHRNB2CHRNA4HSD17B2CHRNB4CHRNA3

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 CHRNB2 2657/4885CHRNA4 2069/4885HSD17B2 97/4885

“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.