SCHEMBL951268

SCHEMBL951268

CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](C(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.53
PDE4B Q07343 3/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RORC P51449 4/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
MMP13 P45452 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
USP30 Q70CQ3 1/20 0.43
POLB P06746 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
SCHEMBL14403373 1.00 TACR1 (0.53) TACR1PDE4BMEN1KMT2ARORC
SCHEMBL1751275 1.00 TACR1 (0.53) TACR1PDE4BMEN1KMT2ARORC
SCHEMBL4760975 1.00 TACR1 (0.53) TACR1PDE4BMEN1KMT2ARORC
SCHEMBL3697373 1.00 TACR1 (0.53) TACR1PDE4BMEN1KMT2ARORC
SCHEMBL951494 1.00 TACR1 (0.53) TACR1PDE4BMEN1KMT2ARORC
SCHEMBL13594769 0.91 TACR1 (0.52) TACR1PDE4BMEN1KMT2ARORC
SCHEMBL18252871 0.91 TACR1 (0.51) TACR1PDE4BMEN1KMT2ARORC
SCHEMBL4413164 0.91 PDE4B (0.50) TACR1PDE4BMEN1KMT2ARORC
SCHEMBL1971427 0.91 PDE4B (0.50) TACR1PDE4BMEN1KMT2ARORC
SCHEMBL4413170 0.91 PDE4B (0.50) TACR1PDE4BMEN1KMT2ARORC

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105758-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYLCARBOCYCLIC ACIDS BACHMANN STEPHAN 2011-05-05 US claimed
EP-2029541-B1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOXYLIC ACIDS HOFFMANN LA ROCHE (CH) 2009-12-30 EP claimed
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids HOFFMANN-LA ROCHE INC. 2007-10-04 US claimed
US-20210340168-A1 OXA-SPIRODIPHOSPHINE LIGAND AND METHOD FOR ASYMMETRIC HYDROGENATION OF alpha, beta-UNSATURATED CARBOXYLIC ACIDS SHENZHEN CATALYS TECHNOLOGY CO., LTD (CN) 2021-11-04 US disclosed
US-8580821-B2 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. (US) 2013-11-12 US disclosed
US-8580821-B2 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. (US) 2013-11-12 US disclosed
US-8580821-B2 Serotonin transporter (SERT) inhibitors for the treatment of depression and anxiety HOFFMANN-LA ROCHE INC. (US) 2013-11-12 US disclosed
US-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-09-26 US disclosed
US-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-09-26 US disclosed
US-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS HOFFMANN-LA ROCHE INC. (US) 2013-09-26 US disclosed
EP-2188266-B1 Novel piperazine amide derivatives HOFFMANN LA ROCHE (CH) 2012-10-17 EP disclosed
WO-2007113155-A1 PROCESS FOR PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC Β-ARYL OR HETEROARYL CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-11 WO disclosed
WO-2007113153-A1 PIPERIDINE DERIVATIVES USEFUL AS SEROTONIN TRANSPORTER INHIBITORS AND NEUROKININ-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-11 WO disclosed
WO-2007113153-A1 PIPERIDINE DERIVATIVES USEFUL AS SEROTONIN TRANSPORTER INHIBITORS AND NEUROKININ-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-10-11 WO disclosed
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids HOFFMANN-LA ROCHE INC. 2007-10-04 US disclosed
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids HOFFMANN-LA ROCHE INC. 2007-10-04 US disclosed
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids HOFFMANN-LA ROCHE INC. 2007-10-04 US disclosed
US-20070232652-A1 Serotonin transporter (sert) inhibitors for the treatment of depression and anxiety HOFFMAN-LA ROCHE INC. 2007-10-04 US disclosed
US-20070232652-A1 Serotonin transporter (sert) inhibitors for the treatment of depression and anxiety HOFFMAN-LA ROCHE INC. 2007-10-04 US disclosed
US-20070232652-A1 Serotonin transporter (sert) inhibitors for the treatment of depression and anxiety HOFFMAN-LA ROCHE INC. 2007-10-04 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 (5 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-20110105758-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYLCARBOCYCLIC ACIDS AHR, AR, CYP8B1 TACR1 1574/4885PDE4B 3250/4885MEN1 2795/4885
US-20210340168-A1 OXA-SPIRODIPHOSPHINE LIGAND AND METHOD FOR ASYMMETRIC HYDROGENATION OF alpha, beta-UNSATURATED CARBOXYLIC ACIDS OXER1, NR1H3, OXGR1 TACR1 159/4885PDE4B 3951/4885MEN1 4604/4885
US-20070232652-A1 Serotonin transporter (sert) inhibitors for the treatment of depression and anxiety SLC6A4, SLC6A1, SLC1A2 TACR1 71/4885PDE4B 3377/4885MEN1 2614/4885
US-20130253201-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED CYCLIC BETA-ARYL OR HETEROARYL CARBOCYCLIC ACIDS AHR, CYP8B1, ADRA2C TACR1 1302/4885PDE4B 2906/4885MEN1 3307/4885
US-20070232653-A1 Process for the preparation of enantiomerically enriched cyclic beta-aryl or heteroaryl carbocyclic acids AHR, CYP8B1, ADRA2C TACR1 1302/4885PDE4B 2906/4885MEN1 3307/4885

“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.