SCHEMBL3413435

SCHEMBL3413435

COC(=O)C[C@@H]1CCc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.52
KDM1A O60341 2/20 0.49
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
MTNR1A P48039 8/20 0.49
FAAH O00519 2/20 0.48
NQO2 P16083 7/20 0.47
MTNR1B P49286 7/20 0.47
PPARD Q03181 3/20 0.47

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
SCHEMBL3410356 1.00 FFAR1 (0.52) FFAR1KDM1AMAOAMAOBMTNR1A
SCHEMBL3410358 1.00 FFAR1 (0.52) FFAR1KDM1AMAOAMAOBMTNR1A
SCHEMBL3412786 0.88 FFAR1 (0.53) FFAR1KDM1AMAOAMAOBMTNR1A
SCHEMBL3750778 0.88 FFAR1 (0.53) FFAR1KDM1AMAOAMAOBMTNR1A
SCHEMBL11403440 0.83 MTNR1A (0.68) MTNR1ANQO2MTNR1B
SCHEMBL3964811 0.80 FFAR1 (0.63) FFAR1PPARD
SCHEMBL3407380 0.79 MTNR1A (0.57) MAOAMAOBMTNR1ANQO2MTNR1B
SCHEMBL3407376 0.79 MTNR1A (0.57) MAOAMAOBMTNR1ANQO2MTNR1B
SCHEMBL3412841 0.79 MTNR1A (0.57) MAOAMAOBMTNR1ANQO2MTNR1B
SCHEMBL1746434 0.79 RXRA (0.47) FFAR1KDM1AMAOAMAOBFAAH

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 FFAR1 171/4885KDM1A 3485/4885MAOA 1014/4885

“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.