SCHEMBL1339677

SCHEMBL1339677

CCOC(=O)C(NC(C)=O)C(=O)c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
NPC1 O15118 2/20 0.44
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL2056862 0.88 CES2 (0.47) LMNASMN1; SMN2NPC1CES2CES1
SCHEMBL1969092 0.84 NPSR1 (0.53) LMNASMN1; SMN2POLBCA12CA1
SCHEMBL15947013 0.83 LMNA (0.48) LMNASMN1; SMN2TDP1CA12CA1
SCHEMBL1968423 0.83 CA12 (0.55) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL1968264 0.83 TAS1R3 (0.51) SMN1; SMN2TDP1NPC1CES2CES1
SCHEMBL1829682 0.82 LMNA (0.58) LMNASMN1; SMN2POLBTDP1NPC1
Iodide SCHEMBL5351689 0.82 CA12 (0.54) LMNASMN1; SMN2CA12CA1CA2
Bromide SCHEMBL7614615 0.82 CA12 (0.54) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL24508981 0.78 LMNA (0.52) LMNASMN1; SMN2POLBTDP1NPC1
SCHEMBL1338330 0.78 LMNA (0.52) LMNASMN1; SMN2POLBTDP1NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063099-B2 Trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-22 US disclosed
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP disclosed
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 US disclosed
EP-2185512-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-05-19 EP disclosed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 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-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 LMNA 2389/4885SMN1; SMN2 4025/4885POLB 3512/4885

“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.