SCHEMBL1797702

SCHEMBL1797702

NC(=O)[C@@H](N)CC1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 2/20 0.49
CPB2 Q96IY4 2/20 0.49
ANPEP P15144 3/20 0.41
ERAP2 Q6P179 1/20 0.41
GABRA5 P31644 3/20 0.38
GABRB2 P47870 3/20 0.38
SLC6A1 P30531 2/20 0.38
SLC6A12 P48065 2/20 0.38
SLC6A11 P48066 2/20 0.38
SLC6A13 Q9NSD5 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRR1 P24046 1/20 0.38
TSHR P16473 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 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
SCHEMBL1797700 1.00 CPN1 (0.49) CPN1CPB2ANPEPERAP2GABRA5
SCHEMBL24740306 0.89 SLC6A1 (0.48) CPN1CPB2ANPEPERAP2GABRA5
SCHEMBL1800254 0.89 SLC6A1 (0.48) CPN1CPB2ANPEPERAP2GABRA5
SCHEMBL1800252 0.89 SLC6A1 (0.48) CPN1CPB2ANPEPERAP2GABRA5
SCHEMBL2715074 0.85
SCHEMBL7411335 0.85
SCHEMBL2715073 0.85
SCHEMBL2749798 0.84 CPN1 (0.58) CPN1CPB2ANPEPERAP2GABRA5
SCHEMBL25358028 0.84 CPN1 (0.58) CPN1CPB2ANPEPERAP2GABRA5
SCHEMBL160000 0.84 CPN1 (0.58) CPN1CPB2ANPEPERAP2GABRA5

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
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US disclosed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 US disclosed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 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 (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-20050227973-A1 Human adam-10 inhibitors ADAM10, ADAM12, ADAM9 CPN1 2426/4885CPB2 2223/4885ANPEP 212/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 CPN1 3087/4885CPB2 3192/4885ANPEP 452/4885

“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.