SCHEMBL3433701

SCHEMBL3433701

COC(=O)C[C@@H]1CCCc2ccc(O)cc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.49
MTNR1A P48039 5/20 0.49
MTNR1B P49286 3/20 0.49
NQO2 P16083 2/20 0.49
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
MIF P14174 1/20 0.42
ACHE P22303 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 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
SCHEMBL3411168 1.00 TRPV1 (0.49) TRPV1MTNR1AMTNR1BNQO2ESR1
SCHEMBL3411164 1.00 TRPV1 (0.49) TRPV1MTNR1AMTNR1BNQO2ESR1
SCHEMBL13424161 0.96 MTNR1A (0.48) TRPV1MTNR1AMTNR1BNQO2ESR1
SCHEMBL3407376 0.92 MTNR1A (0.57) MTNR1AMTNR1BNQO2ESR1ESR2
SCHEMBL3407380 0.92 MTNR1A (0.57) MTNR1AMTNR1BNQO2ESR1ESR2
SCHEMBL3412841 0.92 MTNR1A (0.57) MTNR1AMTNR1BNQO2ESR1ESR2
SCHEMBL15687648 0.89 ESR1 (0.57) ESR1ESR2MIF
SCHEMBL3754198 0.85 MTNR1A (0.46) TRPV1MTNR1AMTNR1BNQO2ACHE
SCHEMBL3410264 0.85 MTNR1A (0.46) TRPV1MTNR1AMTNR1BNQO2ACHE
SCHEMBL3410267 0.85 MTNR1A (0.46) TRPV1MTNR1AMTNR1BNQO2ACHE

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 TRPV1 2669/4885MTNR1A 673/4885MTNR1B 654/4885

“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.