SCHEMBL3326571

SCHEMBL3326571

CC[C@@]1(C(=O)O)CC[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.46
CTSK P43235 2/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
EPHX1 P07099 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
KCNA3 P22001 1/20 0.36
GAA P10253 2/20 0.36
HSD11B1 P28845 3/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
EPHX2 P34913 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP2C9 P11712 1/20 0.34

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
SCHEMBL3327036 1.00 BTK (0.46) BTKCTSKKMT2AL3MBTL1KDM1A
SCHEMBL14169680 1.00 BTK (0.46) BTKCTSKKMT2AL3MBTL1KDM1A
SCHEMBL14100704 0.89 BTK (0.44) BTKCTSKKMT2AL3MBTL1KDM1A
SCHEMBL23369647 0.88 BTK (0.47) BTKCTSKKMT2AL3MBTL1KDM1A
SCHEMBL4144914 0.87 BTK (0.42) BTKCTSKKMT2AL3MBTL1KDM1A
SCHEMBL3360456 0.87 BTK (0.42) BTKCTSKKMT2AL3MBTL1KDM1A
SCHEMBL27517590 0.87 BTK (0.42) BTKCTSKKMT2AL3MBTL1KDM1A
SCHEMBL4311560 0.87 BTK (0.42) BTKCTSKKMT2AL3MBTL1KDM1A
SCHEMBL3360452 0.87 BTK (0.42) BTKCTSKKMT2AL3MBTL1KDM1A
SCHEMBL3360449 0.87 BTK (0.42) BTKCTSKKMT2AL3MBTL1KDM1A

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-1763351-B9 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2017-05-31 EP disclosed
EP-1763351-B1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2016-11-30 EP disclosed
US-8563582-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-8470827-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-06-25 US disclosed
US-20100119503-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2010-05-13 US disclosed
US-7618970-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2009-11-17 US disclosed
US-20090208485-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2009-08-20 US disclosed
US-7449467-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors PFIZER INC. (US) 2008-11-11 US disclosed
US-20060020133-A1 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION 2006-01-26 US disclosed
US-20060004018-A1 3-Aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION 2006-01-05 US 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-20060020133-A1 3-aminocyclopentanecarboxamides as modulators of chemokine receptors CCR5, ACKR3, CXCR3 BTK 1970/4885CTSK 2511/4885KMT2A 3786/4885
US-20060004018-A1 3-Aminocyclopentanecarboxamides as modulators of chemokine receptors CCR5, ACKR3, CXCR3 BTK 1970/4885CTSK 2511/4885KMT2A 3786/4885
US-20100119503-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS CCR5, ACKR3, CXCR3 BTK 1970/4885CTSK 2511/4885KMT2A 3786/4885
US-20090208485-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS CCR5, ACKR3, CXCR3 BTK 1970/4885CTSK 2511/4885KMT2A 3786/4885

“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.