SCHEMBL6661762

SCHEMBL6661762

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.63
UCHL1 P09936 2/20 0.55
KLK7 P49862 1/20 0.52
WNT3 P56703 2/20 0.51
SFRP1 Q8N474 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR2B P41595 1/20 0.49
MAPK14 Q16539 1/20 0.49

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
SCHEMBL6663316 1.00 HSD17B10 (0.63) HSD17B10UCHL1KLK7WNT3SFRP1
SCHEMBL6655904 1.00 HSD17B10 (0.63) HSD17B10UCHL1KLK7WNT3SFRP1
SCHEMBL18462296 0.88 HSD17B10 (0.58) HSD17B10UCHL1KLK7WNT3SFRP1
SCHEMBL3396768 0.85 HSD17B10 (0.60) HSD17B10UCHL1KLK7WNT3SFRP1
SCHEMBL3396771 0.85 HSD17B10 (0.60) HSD17B10UCHL1KLK7WNT3SFRP1
SCHEMBL4224751 0.84 PREP (0.62) HSD17B10KLK7KMT2A
SCHEMBL4224747 0.84 PREP (0.62) HSD17B10KLK7KMT2A
SCHEMBL14684404 0.84 HSD17B10 (0.59) HSD17B10UCHL1KLK7WNT3SFRP1
SCHEMBL6691355 0.84 ALDH1A1 (0.46) CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL7142421 0.84 ALDH1A1 (0.46) CYP2C9CYP2C19HTR2BMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257544-B1 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE VERTEX PHARMA (US) 2012-07-25 EP disclosed
EP-1441728-A2 MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY Vertex Pharmaceuticals Incorporated (US) 2004-08-04 EP disclosed
US-20040034019-A1 Piperazine and piperidine derivatives VERTEX PHARMACEUTICALS INCORPORATED 2004-02-19 US disclosed
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway VERTEX PHARMACEUTICALS, INCORPORATED 2003-10-09 US disclosed
WO-2003037338-A2 MODULATORS OF THE CHOLESTEROL BIOSYNTHETIC PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-05-08 WO disclosed
EP-1257544-A2 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE Vertex Pharmaceuticals Incorporated (US) 2002-11-20 EP disclosed
WO-2001058891-A2 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-08-16 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 (2 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-20040034019-A1 Piperazine and piperidine derivatives GAP43, BDNF, NGF HSD17B10 4515/4885UCHL1 977/4885KLK7 3967/4885
US-20030191110-A1 Modulators of the cholesterol biosynthetic pathway SREBF2, SREBF1, CYP46A1 HSD17B10 34/4885UCHL1 4520/4885KLK7 3261/4885

“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.