SCHEMBL4488959

SCHEMBL4488959

C(=C/Cc1ccccc1)\CCC1CO1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TOP1 P11387 1/20 0.44
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ARG2 P78540 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MGLL Q99685 2/20 0.35
MAPK1 P28482 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33

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
SCHEMBL4488963 1.00 MAOB (0.54) MAOBMEN1KMT2ATOP1CA1
SCHEMBL4478027 0.76 SIGMAR1 (0.45) MEN1KMT2ATDP1MGLL
SCHEMBL4478424 0.76 SIGMAR1 (0.45) MEN1KMT2ATDP1MGLL
SCHEMBL4478034 0.76 SIGMAR1 (0.45) MEN1KMT2ATDP1MGLL
SCHEMBL28523636 0.75 MAOB (0.48) MAOBMEN1KMT2ATDP1MGLL
SCHEMBL1524697 0.73 MAOB (1.00) MAOBTOP1CA1CA2ARG2
SCHEMBL155054 0.73 MAOB (1.00) MAOBTOP1CA1CA2ARG2
SCHEMBL155055 0.73 MAOB (1.00) MAOBTOP1CA1CA2ARG2
SCHEMBL24137898 0.72 MEN1 (0.62) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL2077308 0.72 MEN1 (0.62) MEN1KMT2ASLC6A2SLC6A4SLC6A3

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-7612106-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
US-7241792-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-09-14 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 (3 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-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ACE, ACE2, AGTR2 MAOB 2004/4885MEN1 4780/4885KMT2A 4315/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 MAOB 2004/4885MEN1 4780/4885KMT2A 4315/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 MAOB 2004/4885MEN1 4780/4885KMT2A 4315/4885

“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.