SCHEMBL3867684

SCHEMBL3867684

C#CCNC(=O)C1(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
LMNA P02545 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HDAC4 P56524 3/20 0.50
TSHR P16473 1/20 0.49
PKM P14618 1/20 0.48
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
GLS O94925 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CHRM2 P08172 1/20 0.45
HSD11B1 P28845 2/20 0.45
THRB P10828 1/20 0.44
HDAC1 Q13547 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44
P2RX7 Q99572 1/20 0.43

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
SCHEMBL3866449 0.84 SMN1; SMN2 (0.60) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL2722768 0.81 SMN1; SMN2 (0.59) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL12378818 0.79 SMN1; SMN2 (0.56) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL8572144 0.75 HDAC4 (0.59) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL20060916 0.75 SMN1; SMN2 (0.65) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL10205809 0.75 SMN1; SMN2 (0.52) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL14067363 0.74 SMN1; SMN2 (0.68) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL9831308 0.73 SMN1; SMN2 (0.61) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL19273223 0.72 OPRL1 (0.60) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL9829282 0.72 SMN1; SMN2 (0.60) SMN1; SMN2HTTLMNANPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-01 US disclosed
US-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-01 US disclosed
US-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-01 US disclosed
EP-1873159-A1 Substituted sulphonamido-macrocycles as Tie2 inhibitors and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP disclosed
EP-1873159-A1 Substituted sulphonamido-macrocycles as Tie2 inhibitors and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP disclosed
WO-2007147575-A2 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISINGS SAME, METHODS OF PREPARING SAME AND USES SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO disclosed
WO-2007147575-A2 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISINGS SAME, METHODS OF PREPARING SAME AND USES SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 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-20090005373-A1 SUBSTITUTED SULFONAMIDO-MACROCYCLES AS TIE2 INHIBITORS AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME TIE1, KDR, TEK SMN1; SMN2 764/4885HTT 3396/4885LMNA 1463/4885

“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.