SCHEMBL1969124

SCHEMBL1969124

CC(C)(C(=O)O)N1CCC(=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
LIPE Q05469 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
SCHEMBL15025980 0.82 KCNQ2 (0.33) KCNQ2LIPE
SCHEMBL22502088 0.80 LMNA (0.36) KCNQ2TSHR
SCHEMBL14549470 0.80 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL7159906 0.80
SCHEMBL2804738 0.77 KCNQ2 (0.34) KCNQ2
SCHEMBL25076094 0.75 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL3661207 0.75 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL141779 0.75 LMNA (0.34) KCNQ2ALDH1A1
SCHEMBL1973881 0.75 DGAT1 (0.36) KCNQ2
Hydrochloric Acid SCHEMBL20580252 0.73 ALDH1A1 (0.36) ALDH1A1TSHR

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
CN-105748480-A Methods of treatment of skin ulcers 宾夕法尼亚大学理事会 2016-07-13 CN 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
EP-2152865-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2010-02-17 EP disclosed
US-7589109-B2 Oxyindole derivatives PFIZER INC (US) 2009-09-15 US disclosed
WO-2008140449-A1 METHODS OF TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES AND DISORDERS THOMAS JEFFERSON UNIVERSITY (US) 2008-11-20 WO 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 (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-20100173925-A1 OXYINDOLE DERIVATIVES HTR4, HTR5A, HRH4 KCNQ2 868/4885ALDH1A1 2553/4885TSHR 716/4885
US-20060194842-A1 Oxyindole derivatives HTR4, HTR5A, HRH4 KCNQ2 868/4885ALDH1A1 2553/4885TSHR 716/4885

“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.