SCHEMBL983527

SCHEMBL983527

CN(C)c1nc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2CNC(=O)c2nn(C)c3ccccc23)c(-c2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.48
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTR3A P46098 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
SLC22A2 O15244 1/20 0.39
HTR3B O95264 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39
HCRTR2 O43614 6/20 0.37

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
SCHEMBL2126072 0.92 HCRTR1 (0.43) HCRTR1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL2142780 0.88 HCRTR1 (0.43) HCRTR1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL982579 0.85 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL981979 0.83 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL981982 0.83 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2143379 0.80 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2126786 0.80 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL985097 0.80 HCRTR1 (0.43) HCRTR1ALDH1A1HCRTR2
SCHEMBL982926 0.80 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL2127078 0.80 HCRTR1 (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 EP claimed
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 US claimed
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 HCRTR1 2/4885ALDH1A1 532/4885CYP3A4 771/4885

“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.