SCHEMBL1665962

SCHEMBL1665962

C=C1CCC(C(=O)OCC)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.49
MAPT P10636 2/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 6/20 0.44
LIMK1 P53667 1/20 0.42
LGMN Q99538 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL15967588 0.90 ALDH1A1 (0.49) PDK1MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL5364 0.89 MAPT (0.49) PDK1MAPTALOX15TSHRMAPK1
SCHEMBL593729 0.85 ALDH1A1 (0.45) PDK1MAPTALDH1A1LGMNMEN1
SCHEMBL13553943 0.82 MAPT (0.46) PDK1MAPTALOX15TSHRMAPK1
SCHEMBL14328268 0.80 PDK1 (0.50) PDK1MAPTALOX15TSHRMAPK1
SCHEMBL28101740 0.80 PDK1 (0.50) PDK1MAPTALOX15TSHRMAPK1
SCHEMBL31009629 0.80 PDK1 (0.50) PDK1MAPTALOX15TSHRMAPK1
SCHEMBL14074244 0.80 PDK1 (0.50) PDK1MAPTALOX15TSHRMAPK1
SCHEMBL18501426 0.80 PDK1 (0.50) PDK1MAPTALOX15TSHRMAPK1
SCHEMBL337445 0.80 PDK1 (0.50) PDK1MAPTALOX15TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688743-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY University of Virginia Patent Foundation (US) 2026-02-11 EP disclosed
WO-2024206153-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2024-10-03 WO disclosed
US-9221819-B2 Spirocyclic compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-9221819-B2 Spirocyclic compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-9221819-B2 Spirocyclic compounds as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-8877749-B2 Spirocyclic compounds as modulators of chemokine receptor activity Bristol-Myers Squibbs Company (US) 2014-11-04 US disclosed
US-8877749-B2 Spirocyclic compounds as modulators of chemokine receptor activity Bristol-Myers Squibbs Company (US) 2014-11-04 US disclosed
US-8877749-B2 Spirocyclic compounds as modulators of chemokine receptor activity Bristol-Myers Squibbs Company (US) 2014-11-04 US disclosed
EP-2486034-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
US-20120202802-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
US-20120202802-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
US-20120202802-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
WO-2011044197-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed
WO-2011044197-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed
EP-1318811-B1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-08-30 EP disclosed
EP-1318811-A4 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2004-07-14 EP disclosed
EP-1318811-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2003-06-18 EP disclosed
US-6545023-B2 For treating rheumatoid arthritis; for examle, 1-(4-(4-fluorophenyl)piperidin-1-yl),3-(2-methoxy-4 -chlorobenzylaminocarbonyl),3-isopropyl-cyclopentane MERCK & CO., INC. 2003-04-08 US disclosed
US-20020049222-A1 Cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2002-04-25 US disclosed
WO-2002013824-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2002-02-21 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-20020049222-A1 Cyclopentyl modulators of chemokine receptor activity CCR1, CCRL2, CCR5 PDK1 3686/4885MAPT 4753/4885ALOX15 2382/4885
US-20120202802-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CXCR1, CCR7 PDK1 1545/4885MAPT 4795/4885ALOX15 598/4885

“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.