SCHEMBL15057563

SCHEMBL15057563

CN1CCC(Oc2ccccc2C(=O)O)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPY1R P25929 1/20 0.60
NPY2R P49146 1/20 0.60
SCN1A P35498 5/20 0.59
SCN2A Q99250 5/20 0.59
SCN3A Q9NY46 5/20 0.59
HRH1 P35367 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CHRM3 P20309 4/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
CHRM1 P11229 1/20 0.55
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 4/20 0.51
KAT2B Q92831 1/20 0.49
BAZ2B Q9UIF8 1/20 0.49

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
SCHEMBL16295743 0.98 KDM4E (0.59) KDM4ESMN1; SMN2NPY1RNPY2RSCN1A
Hydrochloric Acid SCHEMBL15048692 0.98 KDM4E (0.59) KDM4ESMN1; SMN2NPY1RNPY2RSCN1A
SCHEMBL10369755 0.93 CHRM3 (0.55) KDM4ESMN1; SMN2NPY1RNPY2RSCN1A
SCHEMBL14624133 0.88 KDM4E (0.56) KDM4ESMN1; SMN2NPY1RNPY2RSCN1A
SCHEMBL4208765 0.87 KDM4E (0.55) KDM4ESMN1; SMN2NPY1RNPY2RSCN1A
SCHEMBL20561976 0.85 EPHX2 (0.58) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL17559489 0.85 IKBKB (0.51) KDM4ESMN1; SMN2NPY1RNPY2RLMNA
SCHEMBL16295818 0.85 SCN1A (0.60) KDM4ESMN1; SMN2NPY1RNPY2RSCN1A
Lithium Ion SCHEMBL16295742 0.85 KDM4E (0.54) KDM4ESMN1; SMN2NPY1RNPY2RSCN1A
SCHEMBL18043814 0.85 EPHX2 (0.47) KDM4ESMN1; SMN2NPY1RNPY2RSCN1A

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-3008068-B1 TETRAAZA-CYCLOPENTA[A]INDENYL DERIVATIVES ASCENEURON SA (CH) 2020-12-30 EP disclosed
US-9505769-B2 Tetraaza-cyclopenta[a]indenyl derivatives ASCENEURON SA (CH) 2016-11-29 US disclosed
EP-2794608-B1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS MERCK PATENT GMBH (DE) 2016-09-14 EP disclosed
US-9403835-B2 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators ARES TRADING S.A. (CH) 2016-08-02 US disclosed
US-20160137648-A1 TETRAAZA-CYCLOPENTA[A]INDENYL DERIVATIVES ASCENEURON SA (CH) 2016-05-19 US disclosed
EP-3008068-A1 TETRAAZA-CYCLOPENTA[A]INDENYL DERIVATIVES Asceneuron SA (CH) 2016-04-20 EP disclosed
WO-2014198808-A1 TETRAAZA-CYCLOPENTA[A]INDENYL DERIVATIVES ASCENEURON SA (CH) 2014-12-18 WO disclosed
EP-2794608-A1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS Merck Patent GmbH (DE) 2014-10-29 EP disclosed
EP-2674434-A1 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators ARES TRADING S.A. (CH) 2013-12-18 EP disclosed
WO-2013091773-A1 TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS MERCK PATENT GMBH (DE) 2013-06-27 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-20160137648-A1 TETRAAZA-CYCLOPENTA[A]INDENYL DERIVATIVES CHRM1, CHRM2, CHRM3 KDM4E 3060/4885SMN1; SMN2 3628/4885NPY1R 304/4885

“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.