SCHEMBL1623258

SCHEMBL1623258

O=C(CNc1ccccc1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.61
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
FAAH O00519 1/20 0.56
KMT2A Q03164 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 3/20 0.54
P2RX7 Q99572 1/20 0.54
PSMB5 P28074 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CNR2 P34972 1/20 0.51

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
SCHEMBL3454586 0.79 EPHX2 (0.68) EPHX2RAB9ANPC1FAAHKMT2A
SCHEMBL19798449 0.78 KMT2A (0.72) EPHX2RAB9ANPC1FAAHKMT2A
SCHEMBL1420838 0.76 EPHX2 (1.00) EPHX2
SCHEMBL905264 0.76 P2RX7 (0.54) EPHX2FAAHKMT2ASMN1; SMN2MAPK1
SCHEMBL1937671 0.76 NPC1 (0.84) EPHX2RAB9ANPC1FAAHKMT2A
SCHEMBL6599030 0.75 ALDH1A1 (0.47) EPHX2RAB9ANPC1FAAHKMT2A
SCHEMBL24209092 0.75 ATM (0.55) EPHX2RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL2125504 0.75 ALDH1A1 (0.64) EPHX2RAB9ANPC1FAAHKMT2A
SCHEMBL15310176 0.74 NPC1 (1.00) EPHX2RAB9ANPC1FAAHKMT2A
SCHEMBL12932018 0.74 NPC1 (0.94) EPHX2RAB9ANPC1FAAHKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928137-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2011-04-19 US disclosed
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN W 2007-07-05 US disclosed
US-7220781-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2007-05-22 US disclosed
EP-1009758-B1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2005-06-01 EP disclosed
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-6740682-B2 TREATMENT OF THROMBOTIC DISEASES, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY. TULARIK LIMITED (GB) 2004-05-25 US disclosed
US-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-05-09 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 (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-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 EPHX2 2980/4885RAB9A 1305/4885NPC1 1854/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN EPHX2 2976/4885RAB9A 1562/4885NPC1 2130/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 EPHX2 2980/4885RAB9A 1305/4885NPC1 1854/4885

“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.