SCHEMBL6984072

SCHEMBL6984072

CN1CCC(C2CCN(C(N)=O)CC2)CC1.O=C(O)CNc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
CHRM3 P20309 3/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM2 P08172 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
F10 P00742 1/20 0.41
GNAI3 P08754 2/20 0.40
GNAO1 P09471 2/20 0.40
GNAI1 P63096 2/20 0.40
ALDH1A1 P00352 2/20 0.40
EGLN1 Q9GZT9 1/20 0.39
EPHX2 P34913 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5215264 0.85 KDM4E (0.46) KDM4EEGLN1EPHX2SMN1; SMN2
SCHEMBL4437908 0.78 GNAI3 (0.49) F10GNAI3GNAO1GNAI1ALDH1A1
Carbamic Acid SCHEMBL754112 0.74 ABAT (0.48) KDM4EMEN1KMT2AALDH1A1EPHX2
Urea SCHEMBL7646273 0.74 ABAT (0.48) KDM4EMEN1KMT2AALDH1A1EPHX2
Methylamine SCHEMBL27800341 0.74 PKM (0.49) KDM4EMEN1KMT2AALDH1A1EPHX2
Hydrochloric Acid SCHEMBL4832679 0.74 ACHE (0.54) KDM4EALDH1A1
SCHEMBL8118829 0.73 LMNA (0.53) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13779963 0.73 KDM1A (0.57) KDM4EKMT2AALDH1A1
Hydrazine SCHEMBL2403240 0.73 ABAT (0.50) KDM4EMEN1KMT2AALDH1A1EPHX2
SCHEMBL41828 0.72 ABAT (0.53) KDM4EMEN1KMT2AALDH1A1EPHX2

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 KDM4E 3526/4885CHRM3 3552/4885CHRM4 4483/4885

“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.