SCHEMBL6980108

SCHEMBL6980108

CCCCOC(=O)N[C@@H](CN1C(=O)c2ccccc2C1=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 3/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.43
THRB P10828 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
POLB P06746 1/20 0.43
GPR88 Q9GZN0 2/20 0.42
CTSK P43235 2/20 0.42
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6980112 1.00 FAAH (0.46) FAAHRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL29582426 0.84 KDM4E (0.47) RAB9ASMN1; SMN2ALDH1A1KMT2ACYP3A4
SCHEMBL14908706 0.80 CTSK (0.47) ALDH1A1KMT2AMEN1THRBHDAC7
SCHEMBL3760185 0.80 CTSK (0.47) ALDH1A1KMT2AMEN1THRBHDAC7
SCHEMBL3374003 0.80 CTSK (0.47) ALDH1A1KMT2AMEN1THRBHDAC7
SCHEMBL844472 0.79 SMN1; SMN2 (0.57) FAAHRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL9848391 0.79 SMN1; SMN2 (0.53) FAAHRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL9848476 0.79 SMN1; SMN2 (0.53) FAAHRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL14040614 0.79 SMN1; SMN2 (0.57) FAAHRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL20773613 0.78 KMT2A (0.51) RAB9AALDH1A1KMT2ACYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1012166-B1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2003-10-29 EP disclosed
US-6420438-B1 FOR THERAPY OF THROMBOTIC DISEASE, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY TULARIK LIMITED (GB) 2002-07-16 US disclosed
US-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-04-04 US disclosed
US-6262069-B1 1-amino-7-isoquinoline derivatives as serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2001-07-17 US disclosed
EP-1012166-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-28 EP disclosed
WO-1999011657-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 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 (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-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors CTRL, HPN, CTSL FAAH 464/4885RAB9A 3747/4885NPC1 415/4885

“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.