SCHEMBL2927059

SCHEMBL2927059

Cc1cn2c(C)c(C(=O)O)nc2s1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 8/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
CYP1A2 P05177 2/20 0.39
TSHR P16473 2/20 0.38
PTGS2 P35354 2/20 0.38
TP53 P04637 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
THRB P10828 1/20 0.34

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
SCHEMBL16426551 0.79 DAO (0.37) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL12140417 0.75 MAPT (0.39) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL1339860 0.73 CYP1A2 (0.47) KDM4EALDH1A1HPGDCYP1A2SMN1; SMN2
SCHEMBL1359041 0.72 KDM4E (0.43) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL16945278 0.70 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL23092161 0.69 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL18136534 0.69 PTGS2 (0.58) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL22761830 0.68 PTGS2 (0.56) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL13197089 0.68 KMT2A (0.46) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL11314026 0.68 RAB9A (0.39) KDM4EALDH1A1HPGDMAPTRAB9A

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 6 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 disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US disclosed
EP-2079690-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP disclosed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 WO 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 735/4885ALDH1A1 702/4885HPGD 1029/4885

“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.