SCHEMBL3155476

SCHEMBL3155476

N#CC(C(=O)O)C1(Cc2ccccc2)CC2CCCC21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.36
CTSC P53634 3/20 0.34
DPP7 Q9UHL4 2/20 0.33
CYP3A4 P08684 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
CTSK P43235 2/20 0.32
GRIN2B Q13224 2/20 0.32
EPHX1 P07099 2/20 0.32
GLA P06280 1/20 0.32
ALPI P09923 1/20 0.31
PKM P14618 1/20 0.31
PTGS1 P23219 1/20 0.31
XIAP P98170 1/20 0.31
SLC7A5 Q01650 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL3152561 0.98 DPP4 (0.35) DPP4CTSCDPP7CYP3A4DPP8
SCHEMBL14570637 0.76 DPP4 (0.36) DPP4CTSCDPP7DPP8DPP9
SCHEMBL3147114 0.69 HSD11B1 (0.43) CYP3A4HPGDALDH1A1USP2GRIN2B
SCHEMBL3152655 0.69 HSD11B1 (0.43) CYP3A4HPGDALDH1A1USP2GRIN2B
SCHEMBL3147106 0.69 HSD11B1 (0.43) CYP3A4HPGDALDH1A1USP2GRIN2B
SCHEMBL3152647 0.69 HSD11B1 (0.43) CYP3A4HPGDALDH1A1USP2GRIN2B
SCHEMBL6725338 0.69 HSD11B1 (0.43) CYP3A4HPGDALDH1A1USP2GRIN2B
SCHEMBL7198425 0.68 DPP4 (0.33) DPP4DPP7CYP3A4HPGDALDH1A1
SCHEMBL7057795 0.67 HSD11B1 (0.51) CTSCHPGDHSD11B1
SCHEMBL6736321 0.67 ALDH1A1 (0.49) CYP3A4HPGDALDH1A1USP2GRIN2B

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-1379494-B1 FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS WARNER LAMBERT CO (US) 2010-03-10 EP disclosed
US-20040092591-A1 Therapeutic use of fused bicyclic or tricyclic amino acids BLAKEMORE DAVID CLIVE (GB) 2004-05-13 US disclosed
US-6596900-B2 Brain, nervous system, neurodegenerative, gastrointestinal, sleep, rheumatic, and psychological disorders; analgesics, antiepileptic agents PFIZER INC 2003-07-22 US disclosed
US-20030078300-A1 Fused bicyclic or tricyclic amino acids PFIZER INC. 2003-04-24 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 (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-20030078300-A1 Fused bicyclic or tricyclic amino acids AADAT, SLC1A2, BCAT1 DPP4 195/4885CTSC 183/4885DPP7 324/4885
US-20040092591-A1 Therapeutic use of fused bicyclic or tricyclic amino acids BCAT1, BCAT2, AADAT DPP4 1916/4885CTSC 829/4885DPP7 1845/4885

“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.