SCHEMBL2930541

SCHEMBL2930541

NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.46
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
HCRTR2 O43614 16/20 0.43

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
SCHEMBL3415643 1.00 HCRTR1 (0.46) HCRTR1TSHRRECQLHCRTR2
SCHEMBL2450567 0.92 HCRTR1 (0.42) HCRTR1TSHRRECQLHCRTR2
SCHEMBL2925288 0.92 HCRTR1 (0.46) HCRTR1TSHRRECQLHCRTR2
SCHEMBL3415834 0.92 HCRTR1 (0.46) HCRTR1TSHRRECQLHCRTR2
SCHEMBL2924532 0.91 SLC6A4 (0.40) HCRTR1TSHRRECQLHCRTR2
SCHEMBL3417003 0.91 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2931897 0.91 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2923800 0.89 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3415866 0.88 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2931080 0.88 HCRTR1 (0.42) 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-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP claimed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US claimed
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 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-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 HCRTR1 1/4885TSHR 536/4885RECQL 2371/4885

“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.