SCHEMBL6360641

SCHEMBL6360641

CC[C@H]1C[C@@H](NC(=O)O)c2cc(C(F)(F)F)ccc2N1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 3/20 0.48
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
GSK3B P49841 1/20 0.37
AR P10275 4/20 0.36
KIF11 P52732 4/20 0.36
CETP P11597 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
HSD17B1 P14061 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
SCHEMBL3197354 1.00 HSD17B2 (0.48) HSD17B2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3197345 1.00 HSD17B2 (0.48) HSD17B2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8996389 0.90 HSD17B2 (0.45) HSD17B2CHRNB2CHRNA4KIF11CETP
SCHEMBL6272668 0.90 HSD17B2 (0.44) HSD17B2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5969111 0.90 HSD17B2 (0.44) HSD17B2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5969109 0.90 HSD17B2 (0.44) HSD17B2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1176456 0.87 HSD17B2 (0.42) HSD17B2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1176450 0.87 HSD17B2 (0.42) HSD17B2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1054468 0.87 HSD17B2 (0.42) HSD17B2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1176452 0.87 HSD17B2 (0.42) HSD17B2CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245570-A1 4-carboxyamino-2-substituted-1,2,3,4-tetrahydroquinolines DENINNO MICHAEL P 2005-11-03 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-20050245570-A1 4-carboxyamino-2-substituted-1,2,3,4-tetrahydroquinolines CETP, APOB, HDLBP HSD17B2 1814/4885CHRNB2 3694/4885CHRNA4 3406/4885

“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.