SCHEMBL10165841

SCHEMBL10165841

COc1ccc2[nH]c(C)c(CC(=O)C(C)C)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.74
MTNR1A P48039 3/20 0.59
MTNR1B P49286 3/20 0.59
HTR1D P28221 2/20 0.58
HTR6 P50406 2/20 0.58
HTR1A P08908 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR1E P28566 1/20 0.55
HTR7 P34969 1/20 0.55
HTR5A P47898 1/20 0.55
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 7/20 0.53
MAPT P10636 4/20 0.53
MCL1 Q07820 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
GAA P10253 2/20 0.52
PTPN5 P54829 1/20 0.52
HSD17B10 Q99714 3/20 0.51
HPGD P15428 3/20 0.51
MEN1 O00255 2/20 0.50

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
Deschlorobenzoyl Indomethacin SCHEMBL454792 0.85 AKR1C2 (1.00) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL10205891 0.85 AKR1C2 (0.80) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL8681515 0.84 AKR1C2 (0.78) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL30604527 0.84 AKR1C2 (0.78) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL6825151 0.84 AKR1C2 (0.78) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL4245648 0.84 AKR1C2 (0.78) AKR1C2MTNR1AMTNR1BHTR1DHTR6
Deboxamet SCHEMBL29387753 0.82 AKR1C2 (0.74) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL8270880 0.82 AKR1C2 (0.74) AKR1C2MTNR1AMTNR1BHTR1DHTR6
Deboxamet SCHEMBL186946 0.82 AKR1C2 (0.74) AKR1C2MTNR1AMTNR1BHTR1DHTR6
SCHEMBL5605077 0.82 AKR1C2 (0.74) AKR1C2MTNR1AMTNR1BHTR1DHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 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 (2 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 AKR1C2 250/4885MTNR1A 207/4885MTNR1B 228/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 AKR1C2 250/4885MTNR1A 207/4885MTNR1B 228/4885

“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.