SCHEMBL983877

SCHEMBL983877

NC[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1ncsc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
HCRTR1 O43613 13/20 0.39
HCRTR2 O43614 12/20 0.39
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
THPO P40225 1/20 0.35
LMNA P02545 1/20 0.34
PMP22 Q01453 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 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
SCHEMBL2127749 0.86 HCRTR1 (0.39) HCRTR1HCRTR2CYP1A2CYP3A4THPO
SCHEMBL982644 0.83 HCRTR1 (0.44) KDM4EHCRTR1HCRTR2
SCHEMBL982642 0.83 HCRTR1 (0.44) KDM4EHCRTR1HCRTR2
SCHEMBL2128177 0.81 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2126543 0.81 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL982926 0.79 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL1764517 0.78 KDM4E (0.48) KDM4EHCRTR1HCRTR2CYP1A2CYP3A4
SCHEMBL1764519 0.78 KDM4E (0.48) KDM4EHCRTR1HCRTR2CYP1A2CYP3A4
SCHEMBL2136587 0.75 TSHR (0.44) HCRTR1HCRTR2LMNA
SCHEMBL2126228 0.73 HCRTR1 (0.49) 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 3 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

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 KDM4E 933/4885HCRTR1 2/4885HCRTR2 1/4885

“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.