SCHEMBL984890

SCHEMBL984890

CN(C)c1nc(C(=O)O)c(-c2ccccc2F)s1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.38
HCRTR2 O43614 6/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA5A P35218 2/20 0.36
CA9 Q16790 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
F2RL3 Q96RI0 1/20 0.36
ADORA2A P29274 1/20 0.36
ACMSD Q8TDX5 1/20 0.35

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
SCHEMBL30775061 0.81 HCRTR1 (0.53) HCRTR1HCRTR2NPC1RAB9A
SCHEMBL269323 0.81 HCRTR1 (0.53) HCRTR1HCRTR2NPC1RAB9A
SCHEMBL980993 0.81 ALDH1A1 (0.47) HCRTR1HCRTR2NPC1RAB9AALDH1A1
SCHEMBL3006440 0.80 NPC1 (0.41) HCRTR1HCRTR2NPC1RAB9AALDH1A1
SCHEMBL980677 0.78 PIN1 (0.50) CA12CA1CA2CA5ACA9
SCHEMBL1969038 0.78 ALDH1A1 (0.47) HCRTR1HCRTR2NPC1RAB9AALDH1A1
SCHEMBL8038762 0.78 CA12 (0.40) NPC1RAB9AALDH1A1HPGDCA12
SCHEMBL984151 0.77 MAPK14 (0.41) HCRTR1HCRTR2NPC1RAB9AALDH1A1
SCHEMBL980701 0.74 UBE2M (0.40) HCRTR1HCRTR2NPC1RAB9AALDH1A1
SCHEMBL1340321 0.74 PIN1 (0.49) HCRTR1HCRTR2NPC1RAB9AALDH1A1

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
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
CN-101965343-A 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD 2011-02-02 CN 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 HCRTR1 2/4885HCRTR2 1/4885NPC1 736/4885

“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.