SCHEMBL2927637

SCHEMBL2927637

NC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccccc1-c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
NPC1 O15118 4/20 0.39
CFD P00746 5/20 0.36
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
PDE4B Q07343 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL2924530 0.86 SLC6A4 (0.41) RAB9ANPC1LMNAHCRTR1HCRTR2
SCHEMBL2925297 0.85 CDK4 (0.36) RAB9ANPC1CFDPARP1ALDH1A1
SCHEMBL3415876 0.85 CDK4 (0.36) RAB9ANPC1CFDPARP1ALDH1A1
SCHEMBL3415640 0.85 TSHR (0.46) HCRTR1HCRTR2
SCHEMBL2930537 0.85 TSHR (0.46) HCRTR1HCRTR2
SCHEMBL3415862 0.83 HCRTR2 (0.46) RAB9ACFDPDE4BHCRTR1HCRTR2
SCHEMBL3415863 0.83 HCRTR2 (0.46) RAB9ACFDPDE4BHCRTR1HCRTR2
SCHEMBL2931403 0.83 HCRTR2 (0.46) RAB9ACFDPDE4BHCRTR1HCRTR2
SCHEMBL3459454 0.82 HCRTR2 (0.39) ALDH1A1LMNAHPGDHTTHCRTR1
SCHEMBL2927639 0.82 PARP1 (0.35) RAB9ANPC1CFDPARP1ALDH1A1

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 RAB9A 2176/4885NPC1 1041/4885CFD 2310/4885

“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.