SCHEMBL4677696

SCHEMBL4677696

CC[C@H](N)C(=O)NNC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccc(OC)c1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 2/20 0.43
CNR1 P21554 1/20 0.42
CTSC P53634 1/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR139 Q6DWJ6 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HTT P42858 1/20 0.40
KLKB1 P03952 2/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
FPR2 P25090 1/20 0.39
ANPEP P15144 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL4677507 1.00 KISS1R (0.43) KISS1RCNR1CTSCPOLBNPSR1
SCHEMBL4677374 0.93 KISS1R (0.43) KISS1RCNR1POLBNPSR1GPR139
SCHEMBL4679658 0.93 KISS1R (0.43) KISS1RCNR1POLBNPSR1GPR139
SCHEMBL4675968 0.86 KISS1R (0.48) KISS1RCTSCPOLBNPSR1GPR139
SCHEMBL4676002 0.86 KISS1R (0.48) KISS1RCTSCPOLBNPSR1GPR139
SCHEMBL8302126 0.85 OPRM1 (0.48) CNR1POLBNPSR1GPR139ALDH1A1
SCHEMBL4676390 0.84 KISS1R (0.47) KISS1RPOLBNPSR1GPR139KLKB1
SCHEMBL4681199 0.84 KISS1R (0.47) KISS1RPOLBNPSR1GPR139KLKB1
SCHEMBL14046858 0.83 F2 (0.46) POLBALDH1A1ANPEP
SCHEMBL4680997 0.82 KISS1R (0.53) KISS1RCTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP claimed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US claimed
EP-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP claimed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO claimed
EP-1975153-A2 Protease inhibitors Prozymex A/S (DK) 2008-10-01 EP disclosed
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP disclosed
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 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-20070155803-A1 Protease inhibitors DPP7, DPP9, DPP3 KISS1R 1337/4885CNR1 4875/4885CTSC 4/4885

“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.