SCHEMBL982257

SCHEMBL982257

CCN(C)c1nc(C(=O)O)c(-c2cccc(Cl)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.45
MDM2 Q00987 4/20 0.42
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
KMT2A Q03164 1/20 0.40
CNR2 P34972 1/20 0.40
TP53 P04637 1/20 0.39
MAPK14 Q16539 1/20 0.39
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
KMO O15229 1/20 0.39
DHODH Q02127 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
SCHEMBL985026 0.89 PIN1 (0.46) PIN1MDM2TRPM8KMT2ACNR2
SCHEMBL984930 0.88 PIN1 (0.49) PIN1MDM2KMT2ATP53HCRTR1
SCHEMBL11916723 0.81 KMT2A (0.41) TRPM8KMT2ACNR2
SCHEMBL271164 0.78 PIN1 (0.59) PIN1MDM2KMT2AHCRTR1HCRTR2
SCHEMBL982476 0.77 TRPM8 (0.46) PIN1MDM2TRPM8KMT2AMAPK14
SCHEMBL3009703 0.77 PIN1 (0.50) PIN1MDM2KMT2ACNR2HCRTR1
SCHEMBL1971006 0.76 KDM4E (0.51) PIN1MDM2KMT2AKMO
SCHEMBL982255 0.75 LIMK1 (0.46) PIN1MDM2TRPM8KMT2AMAPK14
SCHEMBL984661 0.75 PIN1 (0.49) PIN1MDM2TRPM8KMT2AHCRTR1
SCHEMBL2128976 0.75 HCRTR1 (0.40) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
EP-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 EP disclosed
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 US disclosed
EP-2247586-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-10 EP disclosed
WO-2009104155-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 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-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES HCRTR2, HCRTR1, HCAR2 PIN1 3660/4885MDM2 4051/4885FABP4 3538/4885

“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.