SCHEMBL3843916

SCHEMBL3843916

CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@@H](F)[C@@H](F)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.43
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
NR1H2 P55055 1/20 0.38
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.36
RECQL P46063 1/20 0.35
PREP P48147 2/20 0.35
USP30 Q70CQ3 1/20 0.35
TGM2 P21980 1/20 0.35
HTRA1 Q92743 1/20 0.33
DPP4 P27487 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6405000 1.00 CYP1A2 (0.46) CYP1A2POLBCYP3A4CYP2C19HSD17B10
SCHEMBL2709135 0.87 HPGD (0.50) CYP1A2POLBCYP3A4CYP2C19HSD17B10
SCHEMBL2496643 0.87 HSD17B10 (0.50) CYP1A2POLBCYP3A4CYP2C19HSD17B10
SCHEMBL13462044 0.87 HPGD (0.50) CYP1A2POLBCYP3A4CYP2C19HSD17B10
SCHEMBL7142429 0.86 HPGD (0.52) CYP1A2POLBCYP3A4CYP2C19HSD17B10
SCHEMBL26453444 0.85 CYP1A2 (0.46) CYP1A2POLBCYP3A4CYP2C19HSD17B10
SCHEMBL25254751 0.84 CYP1A2 (0.45) CYP1A2POLBCYP3A4CYP2C19HSD17B10
SCHEMBL8426484 0.84 RECQL (0.54) CYP1A2POLBCYP3A4CYP2C19HSD17B10
SCHEMBL13567832 0.84 RECQL (0.54) CYP1A2POLBCYP3A4CYP2C19HSD17B10
SCHEMBL13567876 0.84 RECQL (0.54) CYP1A2POLBCYP3A4CYP2C19HSD17B10

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-1753748-B1 PROLINE DERIVATIVES AND THEIR USE AS DIPEPTIDYL PEPTIDASE IV INHIBITORS PFIZER PROD INC (US) 2009-07-29 EP disclosed
US-7465732-B2 (2S,4S)-4-(piperazin-1-yl)pyrrolidine-2-methanone derivatives PFIZER INC (US) 2008-12-16 US disclosed
US-7291618-B2 Therapeutic compounds PFIZER INC (US) 2007-11-06 US disclosed
US-20070099897-A1 Therapeutic compounds PFIZER INC 2007-05-03 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-20070099897-A1 Therapeutic compounds SLC5A2, SLC5A1, REN CYP1A2 1199/4885POLB 4687/4885CYP3A4 2073/4885

“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.