SCHEMBL2931138

SCHEMBL2931138

COc1cccc(-c2cc(C)ccc2C(=O)N2C[C@H]3C[C@H]3[C@H]2C(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.40
HCRTR2 O43614 9/20 0.40
BTK Q06187 2/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC9A1 P19634 1/20 0.36
MAOB P27338 1/20 0.36
CPS1 P31327 3/20 0.36
PIK3CA P42336 1/20 0.35
SCD5 Q86SK9 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
SCHEMBL2931529 0.92 HCRTR1 (0.46) HCRTR1HCRTR2NPC1KDM4EALDH1A1
SCHEMBL2924872 0.90 HDAC7 (0.36) HCRTR1HCRTR2SLC9A1
SCHEMBL2929167 0.89 KDM4E (0.41) HCRTR1HCRTR2NPC1KDM4EALDH1A1
SCHEMBL2929132 0.89 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL2926153 0.87 HDAC7 (0.44) HCRTR1HCRTR2
SCHEMBL2930271 0.86 CHRM1 (0.44) HCRTR1HCRTR2BTKNPC1ALDH1A1
SCHEMBL2925061 0.86 HCRTR2 (0.41) HCRTR1HCRTR2MAPTRAB9ASMN1; SMN2
SCHEMBL2931139 0.86 HCRTR1 (0.39) HCRTR1HCRTR2NPC1MAOBCPS1
SCHEMBL2933638 0.85 NPC1 (0.39) HCRTR1HCRTR2NPC1KDM4EALDH1A1
SCHEMBL2925882 0.85 RXRA (0.33) HCRTR1HCRTR2PIK3CA

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 2/4885BTK 2485/4885

“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.