SCHEMBL1969082

SCHEMBL1969082

N#CC1(O)CCN(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL17632172 0.88 ALDH1A1 (0.37) ALDH1A1
SCHEMBL4430554 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL850964 0.77 CA12 (0.35) CA12CA1CA2CA9CA7
SCHEMBL1282884 0.77
SCHEMBL1290638 0.77 VNN1 (0.39) ALDH1A1
SCHEMBL7018431 0.76 CTSS (0.36) CTSBCTSSCTSK
SCHEMBL454776 0.76 ALDH1A1 (0.43) ALDH1A1
SCHEMBL4765795 0.74
SCHEMBL23528020 0.74 CA12 (0.31) CA12CA1CA2CA9CA7
SCHEMBL16416213 0.74 OPRM1 (0.32) CA12CA1CA2CA9CA7

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
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-25 US disclosed
WO-2023076218-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-04 WO disclosed
US-9394282-B2 Pyrazole carboxamides as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-19 US disclosed
US-20140235641-A1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS INTERVET INC. 2014-08-21 US disclosed
EP-1856110-B1 OXYINDOLE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS PFIZER (US) 2011-06-22 EP disclosed
US-20100173925-A1 OXYINDOLE DERIVATIVES PFIZER INC 2010-07-08 US disclosed
US-7589109-B2 Oxyindole derivatives PFIZER INC (US) 2009-09-15 US disclosed
EP-1856110-A1 OXYINDOLE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS Pfizer, Inc. (US) 2007-11-21 EP disclosed
US-20060194842-A1 Oxyindole derivatives PFIZER INC. 2006-08-31 US disclosed
WO-2006090279-A1 OXYINDOLE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS PFIZER JAPAN INC. (JP) 2006-08-31 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 (4 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-20100173925-A1 OXYINDOLE DERIVATIVES HTR4, HTR5A, HRH4 ALDH1A1 2553/4885CTSB 2144/4885CTSS 979/4885
US-20060194842-A1 Oxyindole derivatives HTR4, HTR5A, HRH4 ALDH1A1 2553/4885CTSB 2144/4885CTSS 979/4885
US-20140235641-A1 PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 1387/4885CTSB 3387/4885CTSS 3158/4885
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF RIPK1, RIPK3, RIPK4 ALDH1A1 3865/4885CTSB 2939/4885CTSS 3498/4885

“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.