SCHEMBL7076356

SCHEMBL7076356

C[C@H]1C[C@@H](c2ccccc2)CCN1c1cc2cc(C(N)=O)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
PARP14 Q460N5 5/20 0.38
PARP10 Q53GL7 3/20 0.38
USP5 P45974 1/20 0.38
CHEK1 O14757 2/20 0.35
CHEK2 O96017 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
VCP P55072 1/20 0.34
CHRNA7 P36544 1/20 0.34
SCD O00767 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL5374221 0.83 GAA (0.46) CHEK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL5374216 0.83 GAA (0.46) CHEK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL5732647 0.73 GAA (0.48) PARP14CHEK1CHEK2OPRM1OPRD1
SCHEMBL7076353 0.72 PARP14 (0.39) PARP14PARP10USP5CA12CA1
SCHEMBL5203581 0.69 GAA (0.54) PARP14CHEK1TNKSPARP1
SCHEMBL7375633 0.68 CHEK1 (0.50) MMP2MMP13CHEK1CHEK2
SCHEMBL27303418 0.67 PARP10 (0.46) PARP14PARP10CA12CA1CA2
SCHEMBL7509760 0.66 MMP2 (0.46) MMP2MMP13CHEK1CHEK2
SCHEMBL5733402 0.64 SLC6A2 (0.44) MMP2MMP13CHEK1CHEK2OPRM1
SCHEMBL24698091 0.62 CHEK1 (0.39) MMP2MMP13CHEK1CHEK2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. 2003-04-17 US disclosed
US-6340685-B1 ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-01-22 US disclosed
US-6130235-A PIPERIDINE MOIETIES COUPLED TO INDOLE, BENZIMIDAZOLE OR BENZOTRIAZOLE. SCIOS INC. (US) 2000-10-10 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-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders RCOR1, NR3C2, CNR1 MMP2 4165/4885MMP13 3715/4885PARP14 2130/4885

“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.