SCHEMBL2929167

SCHEMBL2929167

COc1cccc(-c2ccccc2C(=O)N2C[C@H]3C[C@H]3[C@H]2C(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
HCRTR1 O43613 7/20 0.41
HCRTR2 O43614 7/20 0.41
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KLK3 P07288 1/20 0.38
SLC9A1 P19634 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PAX8 Q06710 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL2446743 0.94 HCRTR1 (0.40) KDM4EGAAHCRTR1HCRTR2CDK4
SCHEMBL2446746 0.94 HCRTR1 (0.40) KDM4EGAAHCRTR1HCRTR2CDK4
SCHEMBL2444048 0.89 HCRTR1 (0.41) KDM4EGAAHCRTR1HCRTR2NPC1
SCHEMBL2931138 0.89 HCRTR1 (0.40) KDM4EHCRTR1HCRTR2NPC1ALDH1A1
SCHEMBL2931529 0.89 HCRTR1 (0.46) KDM4EHCRTR1HCRTR2NPC1ALDH1A1
SCHEMBL2444044 0.89 HCRTR1 (0.41) KDM4EGAAHCRTR1HCRTR2NPC1
SCHEMBL2931078 0.89 FPR2 (0.41) GAAHCRTR1HCRTR2SMN1; SMN2
SCHEMBL2933638 0.88 NPC1 (0.39) KDM4EHCRTR1HCRTR2NPC1ALDH1A1
SCHEMBL3416131 0.86 CDK4 (0.41) HCRTR1HCRTR2CDK4CCND1ALDH1A1
SCHEMBL3414065 0.86 CDK4 (0.41) HCRTR1HCRTR2CDK4CCND1ALDH1A1

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 KDM4E 735/4885GAA 3717/4885HCRTR1 1/4885

“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.