SCHEMBL3410091

SCHEMBL3410091

COC(=O)[C@@H](C)[C@@H]1CCc2ccc(O)cc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
NQO2 P16083 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LMNA P02545 1/20 0.39
SOD1 P00441 1/20 0.39

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
SCHEMBL13048137 1.00 MTNR1A (0.44) MTNR1AMTNR1BNQO2MAOAMAOB
SCHEMBL3412455 1.00 MTNR1A (0.44) MTNR1AMTNR1BNQO2MAOAMAOB
SCHEMBL3410085 1.00 MTNR1A (0.44) MTNR1AMTNR1BNQO2MAOAMAOB
SCHEMBL3755552 1.00 MTNR1A (0.44) MTNR1AMTNR1BNQO2MAOAMAOB
SCHEMBL3412451 1.00 MTNR1A (0.44) MTNR1AMTNR1BNQO2MAOAMAOB
SCHEMBL13048165 1.00 MTNR1A (0.44) MTNR1AMTNR1BNQO2MAOAMAOB
SCHEMBL16473704 0.91 NLRP3 (0.40) MTNR1AMTNR1BNQO2MAOAMAOB
SCHEMBL28750802 0.89 ESR1 (0.51) MTNR1AMTNR1BNQO2CA1CA2
SCHEMBL20235166 0.89 ESR1 (0.51) MTNR1AMTNR1BNQO2CA1CA2
SCHEMBL820930 0.89 ESR1 (0.51) MTNR1AMTNR1BNQO2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
EP-2260017-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS Amgen, Inc (US) 2010-12-15 EP disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US disclosed
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 WO disclosed
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 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-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders PC, GOT2, CS MTNR1A 673/4885MTNR1B 654/4885NQO2 373/4885

“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.