SCHEMBL980841

SCHEMBL980841

CCN(C)c1nc(C(=O)N2[C@H]3CC[C@H](C3)[C@@H]2CNC(=O)c2cccc3ncsc23)c(-c2cccc(OC)c2)s1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.44
HCRTR2 O43614 11/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL981543 0.94 HCRTR1 (0.46) HCRTR1HCRTR2ALDH1A1KDM4EHPGD
SCHEMBL980802 0.91 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL984759 0.89 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL986004 0.86 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL984618 0.85 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL984146 0.85 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL983198 0.85 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL981442 0.85 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2125443 0.84 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL981525 0.84 HCRTR1 (0.48) 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 2/4885HCRTR2 1/4885ALDH1A1 532/4885

“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.