SCHEMBL2145998

SCHEMBL2145998

CC(C)(C)OC(=O)N1CCC(C(=O)c2ccc(F)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.57
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 2/20 0.51
MGLL Q99685 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL5478514 1.00 HSD11B1 (0.57) HSD11B1ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL5476449 0.93 MEN1 (0.55) HSD11B1ALDH1A1KMT2AMEN1POLB
SCHEMBL5476452 0.93 MEN1 (0.55) HSD11B1ALDH1A1KMT2AMEN1POLB
SCHEMBL228921 0.92 HSD11B1 (0.63) HSD11B1ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL21381625 0.89 HSD11B1 (0.48) HSD11B1ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL1991541 0.87 KMT2A (0.52) HSD11B1ALDH1A1KMT2AMEN1POLB
SCHEMBL1991537 0.87 KMT2A (0.52) HSD11B1ALDH1A1KMT2AMEN1POLB
SCHEMBL29537844 0.87 KMT2A (0.52) HSD11B1ALDH1A1KMT2AMEN1POLB
SCHEMBL21848120 0.87 KDM4E (0.56) KMT2AMEN1KDM4E
SCHEMBL407900 0.87 KDM4E (0.56) KMT2AMEN1KDM4E

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-20070219266-A1 N-Acylated-3-(Benzoyl)-Pyrrolidines as 11-Beta-HSD1 Inhibitors Useful for the Treatment of Metabolic Disorders ASTRAZENECA AB (SE) 2007-09-20 US claimed
EP-1685101-A1 N-ACYLATED-3-(BENZOYL)-PYRROLIDINES AS 11-BETA-HSD1 INHIBITORS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS. AstraZeneca AB (SE) 2006-08-02 EP claimed
WO-2005047250-A1 N-ACYLATED-3- (BENZOYL) - PYRROLIDINES AS 11-BETA-HSD1 INHIBITORS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS. ASTRAZENECA AB (SE) 2005-05-26 WO claimed
WO-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed
US-20070219266-A1 N-Acylated-3-(Benzoyl)-Pyrrolidines as 11-Beta-HSD1 Inhibitors Useful for the Treatment of Metabolic Disorders ASTRAZENECA AB (SE) 2007-09-20 US disclosed
EP-1517894-B1 N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2006-09-06 EP disclosed
EP-1685101-A1 N-ACYLATED-3-(BENZOYL)-PYRROLIDINES AS 11-BETA-HSD1 INHIBITORS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS. AstraZeneca AB (SE) 2006-08-02 EP disclosed
US-20060058348-A1 N-benzyl-3-phenyl-3-heterocyclyl-propionamide compounds as tachykinin and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2006-03-16 US disclosed
WO-2005047250-A1 N-ACYLATED-3- (BENZOYL) - PYRROLIDINES AS 11-BETA-HSD1 INHIBITORS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS. ASTRAZENECA AB (SE) 2005-05-26 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 (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-20070219266-A1 N-Acylated-3-(Benzoyl)-Pyrrolidines as 11-Beta-HSD1 Inhibitors Useful for the Treatment of Metabolic Disorders HSD11B1, HSD3B1, HSD17B1 HSD11B1 1/4885ALDH1A1 76/4885LMNA 3054/4885
US-20060058348-A1 N-benzyl-3-phenyl-3-heterocyclyl-propionamide compounds as tachykinin and/or serotonin reuptake inhibitors HTR7, OPRL1, HCRTR1 HSD11B1 1006/4885ALDH1A1 2980/4885LMNA 3420/4885

“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.