SCHEMBL2931403

SCHEMBL2931403

NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccccc1-c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.46
HCRTR1 O43613 5/20 0.46
CHRM1 P11229 5/20 0.41
CHRM3 P20309 5/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CFD P00746 1/20 0.39
PDE4B Q07343 1/20 0.36
RORB Q92753 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B3 P37058 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL3415863 1.00 HCRTR2 (0.46) HCRTR2HCRTR1CHRM1CHRM3CHRM2
SCHEMBL3415862 1.00 HCRTR2 (0.46) HCRTR2HCRTR1CHRM1CHRM3CHRM2
SCHEMBL2924530 0.88 SLC6A4 (0.41) HCRTR2HCRTR1RAB9AHSD17B3
SCHEMBL2930271 0.88 CHRM1 (0.44) HCRTR2HCRTR1CHRM1CFDPDE4B
SCHEMBL2929613 0.88 CHRM1 (0.44) HCRTR2HCRTR1CHRM1CFDPDE4B
SCHEMBL3415640 0.87 TSHR (0.46) HCRTR2HCRTR1
SCHEMBL2930537 0.87 TSHR (0.46) HCRTR2HCRTR1
SCHEMBL3416131 0.87 CDK4 (0.41) HCRTR2HCRTR1CHRM3GRM5
SCHEMBL2926957 0.87 CDK4 (0.41) HCRTR2HCRTR1CHRM3GRM5
SCHEMBL3414065 0.87 CDK4 (0.41) HCRTR2HCRTR1CHRM3GRM5

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 HCRTR2 2/4885HCRTR1 1/4885CHRM1 139/4885

“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.