SCHEMBL2923799

SCHEMBL2923799

NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccccc1-c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.47
HCRTR2 O43614 11/20 0.47
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
PIK3CA P42336 1/20 0.38
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 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
SCHEMBL2930537 0.88 TSHR (0.46) HCRTR1HCRTR2
SCHEMBL3415640 0.88 TSHR (0.46) HCRTR1HCRTR2
SCHEMBL2932492 0.86 MKNK1 (0.40) HCRTR1HCRTR2PIK3CAHTT
SCHEMBL2923800 0.83 HCRTR1 (0.48) HCRTR1HCRTR2CDK4CCND1HTT
SCHEMBL2925286 0.82 HCRTR1 (0.44) HCRTR1HCRTR2CDK4CCND1KMT2A
SCHEMBL3416998 0.82 HCRTR2 (0.44) HCRTR1HCRTR2
SCHEMBL2924530 0.82 SLC6A4 (0.41) HCRTR1HCRTR2
SCHEMBL2931896 0.82 HCRTR2 (0.44) HCRTR1HCRTR2
SCHEMBL3415826 0.82 HCRTR1 (0.44) HCRTR1HCRTR2CDK4CCND1KMT2A
SCHEMBL3416131 0.81 CDK4 (0.41) HCRTR1HCRTR2CDK4CCND1KMT2A

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 1/4885HCRTR2 2/4885CDK4 1090/4885

“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.