SCHEMBL15086722

SCHEMBL15086722

COc1ccc(OCC(=O)N2CCC(c3ccc(OC)c(OC)c3)=N2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.65
RAB9A P51151 2/20 0.62
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TP53 P04637 4/20 0.54
PDE4B Q07343 4/20 0.47
PDE5A O76074 1/20 0.45
POLB P06746 1/20 0.44
FKBP1A P62942 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL15086730 0.93 MAOB (0.61) MAOBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL15086729 0.93 MAOB (0.61) MAOBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL981326 0.87 MAOB (0.65) MAOBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL15086728 0.86 MAOB (0.59) MAOBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL15086726 0.84 MAOB (0.68) MAOBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL15086709 0.83 MAOB (0.70) MAOBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL15086725 0.81 MAOB (0.71) MAOBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL15086717 0.81 MAOB (0.70) MAOBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL980757 0.80 MAOB (0.61) MAOBRAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL14484810 0.80 MAOB (0.68) MAOBRAB9AALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170368030-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-12-28 US disclosed
US-9775830-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-10-03 US disclosed
US-9775830-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-10-03 US disclosed
US-20170071910-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-03-16 US disclosed
US-20170071910-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-03-16 US disclosed
US-9517227-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2016-12-13 US disclosed
US-9517227-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2016-12-13 US disclosed
US-20140296238-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-10-02 US disclosed
US-20140296238-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-10-02 US disclosed
US-8791114-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-8791114-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-20130172351-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2013-07-04 US disclosed
US-20130172351-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2013-07-04 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-20170368030-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885RAB9A 2196/4885ALDH1A1 3510/4885
US-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885RAB9A 2196/4885ALDH1A1 3510/4885
US-20140296238-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885RAB9A 2196/4885ALDH1A1 3510/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885RAB9A 2196/4885ALDH1A1 3510/4885

“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.