SCHEMBL983436

SCHEMBL983436

CN(C)c1nc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2CNC(=O)c2cc3cc(F)ccc3n2C)c(-c2cccc(F)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.42
HCRTR2 O43614 15/20 0.38
TP53 P04637 2/20 0.38
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL983901 0.86 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2127805 0.85 HCRTR1 (0.41) HCRTR1HCRTR2LMNA
SCHEMBL983384 0.85 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL983386 0.85 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL985097 0.85 HCRTR1 (0.43) HCRTR1HCRTR2LMNA
SCHEMBL2126072 0.84 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL983343 0.82 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL982525 0.82 HCRTR1 (0.45) HCRTR1HCRTR2TP53LMNA
SCHEMBL981685 0.82 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL2127078 0.82 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 2/4885HCRTR2 1/4885TP53 4861/4885

“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.