SCHEMBL4099326

SCHEMBL4099326

CC(C)(C)C1[C@@H](O)[C@H](c2ccccc2)CN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KDM1A O60341 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RORC P51449 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4114277 1.00 RIPK1 (0.41) RIPK1SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL3991385 1.00 RIPK1 (0.41) RIPK1SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL17104487 0.89 RIPK1 (0.43) RIPK1SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL4114777 0.87 ALDH1A1 (0.37) SLC6A4SLC6A3HRH3KDM1A
SCHEMBL3987952 0.87 ALDH1A1 (0.37) SLC6A4SLC6A3HRH3KDM1A
SCHEMBL3993930 0.87 ALDH1A1 (0.37) SLC6A4SLC6A3HRH3KDM1A
SCHEMBL2242113 0.85 RIPK1 (0.48) RIPK1SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL2331703 0.84 KDM4E (0.45) RIPK1SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL5805602 0.81 KDM1A (0.39) RIPK1SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL18226601 0.76 KDM1A (0.40) SLC6A2SLC6A4SLC6A3KDM1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670476-A4 PHENYL PYRROLIDINE ETHER TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-05-27 EP disclosed
US-7468437-B2 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2008-12-23 US disclosed
US-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-02-22 US disclosed
EP-1670476-A2 PHENYL PYRROLIDINE ETHER TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2006-06-21 EP disclosed
WO-2005032464-A2 PHENYL PYRROLIDINE ETHER TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2005-04-14 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-20070043015-A1 Phenyl pyrrolidine ether tachykinin receptor antagonists TACR1, NPSR1, TACR2 RIPK1 1789/4885SLC6A2 707/4885SLC6A4 384/4885

“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.