SCHEMBL11895019

SCHEMBL11895019

Cc1cc(N2CCCC2)n2ncc(C(=O)O)c2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.62
HPGD P15428 8/20 0.60
ALDH1A1 P00352 8/20 0.60
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
HSD17B10 Q99714 6/20 0.60
MAPT P10636 5/20 0.60
HTT P42858 4/20 0.60
LMNA P02545 4/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
MAPK1 P28482 3/20 0.60
TP53 P04637 2/20 0.60
CASP1 P29466 2/20 0.60
CASP7 P55210 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
SMN1; SMN2 Q16637 3/20 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
SCHEMBL11962837 0.82 HSD17B10 (0.64) KDM4EHPGDALDH1A1NPC1RAB9A
SCHEMBL19455240 0.79 ALDH1A1 (0.50) KDM4EHPGDALDH1A1NPC1RAB9A
SCHEMBL19455700 0.79 ALDH1A1 (0.50) KDM4EHPGDALDH1A1NPC1RAB9A
SCHEMBL19455239 0.79 ALDH1A1 (0.50) KDM4EHPGDALDH1A1NPC1RAB9A
SCHEMBL1422926 0.77 KDM4E (1.00) KDM4EHPGDALDH1A1NPC1RAB9A
SCHEMBL15992629 0.77 ALDH1A1 (0.66) KDM4EHPGDALDH1A1NPC1RAB9A
SCHEMBL19436724 0.77 KDM4E (0.61) KDM4EHPGDALDH1A1NPC1RAB9A
SCHEMBL18208953 0.76 KDM4E (0.73) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL11951619 0.76 HSD17B10 (0.57) KDM4EHPGDALDH1A1NPC1RAB9A
SCHEMBL9300676 0.75 KDM4E (0.71) KDM4EHPGDALDH1A1HSD17B10MAPT

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
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 US disclosed
US-9511067-B2 Substituted spiro[piperidine-4,1'-pyrrolo[1,2-a]pyrazine]s as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-06 US disclosed
EP-3056495-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Inc. (US) 2016-08-17 EP disclosed
EP-2670752-B1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-03-16 EP disclosed
US-20150174127-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-25 US disclosed
US-8916565-B2 Pyrrolopyrazine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-12-23 US disclosed
EP-2670752-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2013-12-11 EP disclosed
WO-2012106499-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 WO disclosed
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-08-02 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 (3 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-20150174127-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 KDM4E 2838/4885HPGD 1211/4885ALDH1A1 1663/4885
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 KDM4E 2838/4885HPGD 1211/4885ALDH1A1 1663/4885
US-20120196869-A1 PYRROLOPYRAZINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ5, KCNJ1 KDM4E 2838/4885HPGD 1211/4885ALDH1A1 1663/4885

“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.