SCHEMBL6290053

SCHEMBL6290053

CC(=N)NC1CCC([O])CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.34
EPHX1 P07099 7/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 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
SCHEMBL1713541 0.87
Hydrochloric Acid SCHEMBL4038113 0.85
SCHEMBL20714981 0.78 SMN1; SMN2 (0.32) EPHX2EPHX1MMP2MMP8SMN1; SMN2
SCHEMBL21391077 0.77
SCHEMBL8297620 0.77
SCHEMBL20714983 0.76 SMYD3 (0.41)
SCHEMBL19545205 0.75 EPHX1 (0.50) EPHX2EPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL19848975 0.71 ALDH1A1 (0.36) MAPTKDM4EALDH1A1
SCHEMBL22755569 0.71 EPHX1 (0.54) EPHX2EPHX1POLB
SCHEMBL16187052 0.70 P2RX4 (0.37) EPHX2EPHX1POLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 US disclosed
US-20030232789-A1 Salicylamides as serine protease and factor xa inhibitors ALLEN DARIN ARTHUR (US) 2003-12-18 US disclosed
US-20030225036-A1 Non-amidine containing protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-12-04 US disclosed
EP-1265897-A1 NON-AMIDINE CONTAINING PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-18 EP disclosed
EP-1242366-A1 SALICYLAMIDES AS SERINE PROTEASE AND FACTOR XA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-09-25 EP disclosed
US-20020052343-A1 Salicylamides as serine protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-05-02 US disclosed
WO-2001070743-A1 NON-AMIDINE CONTAINING PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-27 WO disclosed
WO-2001044172-A1 SALICYLAMIDES AS SERINE PROTEASE AND FACTOR XA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-06-21 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 (3 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-20030232789-A1 Salicylamides as serine protease and factor xa inhibitors TFPI, HABP2, PLAT EPHX2 1559/4885EPHX1 982/4885MMP2 105/4885
US-20030225036-A1 Non-amidine containing protease inhibitors TFPI, SERPINE1, HABP2 EPHX2 2164/4885EPHX1 1642/4885MMP2 101/4885
US-20020052343-A1 Salicylamides as serine protease inhibitors TFPI, SERPINE1, HABP2 EPHX2 1713/4885EPHX1 1037/4885MMP2 106/4885

“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.