SCHEMBL982255

SCHEMBL982255

CCCNc1nc(C(=O)O)c(-c2cccc(Cl)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.46
PIN1 Q13526 2/20 0.44
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
MDM2 Q00987 4/20 0.42
MAPK14 Q16539 2/20 0.41
ABL1 P00519 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
KMT2A Q03164 1/20 0.39
ADORA1 P30542 1/20 0.39
CNR1 P21554 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
PTGER4 P35408 1/20 0.39
RORC P51449 1/20 0.38

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
SCHEMBL271164 0.77 PIN1 (0.59) PIN1MDM2KMT2A
SCHEMBL982476 0.76 TRPM8 (0.46) PIN1MDM2MAPK14TRPM8PDE4B
SCHEMBL985026 0.76 PIN1 (0.46) PIN1MDM2MAPK14TRPM8PDE4B
SCHEMBL3009703 0.76 PIN1 (0.50) PIN1MDM2KMT2ANPC1RAB9A
SCHEMBL982257 0.75 PIN1 (0.45) PIN1MDM2MAPK14TRPM8KMT2A
SCHEMBL1971006 0.75 KDM4E (0.51) PIN1MDM2KMT2ANPC1RAB9A
SCHEMBL984661 0.74 PIN1 (0.49) PIN1MDM2TRPM8KMT2ANPC1
SCHEMBL984930 0.74 PIN1 (0.49) PIN1MDM2KMT2ANPC1RAB9A
SCHEMBL13398678 0.72 PIN1 (0.46) PIN1MDM2PDE4DKMT2ANPC1
SCHEMBL982012 0.71 PIN1 (0.44) PIN1MDM2MAPK14TRPM8KMT2A

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 LIMK1 4801/4885PIN1 3660/4885CCNA2 454/4885

“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.