SCHEMBL4760975

SCHEMBL4760975

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
SCHEMBL951268 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966137-A2 PIPERIDINE DERIVATIVES Pfizer Products Inc. (US) 2008-09-10 EP disclosed
WO-2007072150-A2 PIPERIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-06-28 WO disclosed
US-20070142389-A1 PIPERIDINE DERIVATIVES PFIZER INC. (US) 2007-06-21 US disclosed
EP-1372653-B1 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2006-10-04 EP disclosed
US-7015235-B2 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2006-03-21 US disclosed
US-20060035935-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists GOULET MARK T 2006-02-16 US disclosed
EP-1372653-A4 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2005-10-05 EP disclosed
US-20040097546-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2004-05-20 US disclosed
EP-1372653-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-01-02 EP disclosed
WO-2002068387-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2002-09-06 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 (3 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-20070142389-A1 PIPERIDINE DERIVATIVES CFTR, HDAC10, RPP30 TACR1 98/4885PDE4B 975/4885MEN1 1455/4885
US-20060035935-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R TACR1 587/4885PDE4B 62/4885MEN1 2447/4885
US-20040097546-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R TACR1 587/4885PDE4B 62/4885MEN1 2447/4885

“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.