SCHEMBL239605

SCHEMBL239605

COc1cccnc1N1CCC(C(=O)O)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 9/20 0.61
KDM4E B2RXH2 2/20 0.56
CYP2C19 P33261 1/20 0.56
NEK2 P51955 4/20 0.55
KMT2A Q03164 1/20 0.51
PLK1 P53350 1/20 0.49
NEK1 Q96PY6 1/20 0.49
ELANE P08246 3/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48

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
SCHEMBL238160 0.82 KDM4E (0.60) MALT1KDM4ECYP2C19NEK2KMT2A
SCHEMBL2421306 0.80 MALT1 (0.70) MALT1KDM4ECYP2C19NEK2KMT2A
SCHEMBL4879872 0.79 KDM4E (0.60) MALT1KDM4ECYP2C19NEK2KMT2A
SCHEMBL4524152 0.79 NEK2 (0.67) MALT1KDM4ECYP2C19NEK2KMT2A
SCHEMBL29086088 0.78 SLC2A1 (0.52) MALT1CYP2C19
SCHEMBL30585959 0.78 SLC2A1 (0.52) MALT1CYP2C19
SCHEMBL3104049 0.77 NEK2 (0.59) MALT1KDM4ECYP2C19NEK2KMT2A
SCHEMBL2812388 0.76 RBP4 (0.49) MALT1KDM4ECYP2C19KMT2A
SCHEMBL27815937 0.76 CYP1A2 (0.51) MALT1KDM4ECYP2C19
SCHEMBL1252470 0.76 TRPV1 (0.66) MALT1KDM4ECYP2C19NEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401279-A1 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS Vantia Limited (GB) 2012-01-04 EP disclosed
US-20110312941-A1 1,4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2011-12-22 US disclosed
US-20110312941-A1 1,4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2011-12-22 US disclosed
US-20110312941-A1 1,4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2011-12-22 US disclosed
WO-2010097576-A9 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2010-10-21 WO disclosed
WO-2010097576-A9 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2010-10-21 WO disclosed
WO-2010097576-A1 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2010-09-02 WO disclosed
WO-2010097576-A1 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2010-09-02 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-20110312941-A1 1,4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS AVPR2, AVPR1A, AVPR1B MALT1 4857/4885KDM4E 2389/4885CYP2C19 1165/4885

“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.