SCHEMBL983225

SCHEMBL983225

Nc1nc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2CNC(=O)c2cccc3c2OCCO3)c(-c2cccc(F)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 11/20 0.45
HCRTR2 O43614 10/20 0.41
HTR4 Q13639 9/20 0.39

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
SCHEMBL2127620 0.89 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2127224 0.89 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL2128188 0.89 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL1571956 0.86 HCRTR1 (0.47) HCRTR1HCRTR2HTR4
SCHEMBL2125907 0.85 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL1338803 0.85 HCRTR1 (0.45) HCRTR1HCRTR2HTR4
SCHEMBL986632 0.85 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2126694 0.84 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2126629 0.84 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL983476 0.83 HCRTR1 (0.55) 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 1/4885HTR4 236/4885

“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.