SCHEMBL14484458

SCHEMBL14484458

COc1ccc(C2=NN(C(=O)c3ccc4c(c3)CCO4)CC2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GPR183 P32249 1/20 0.46
▸ ERN1 O75460 1/20 0.44
▸ PGR P06401 1/20 0.43
▸ HCRTR1 O43613 1/20 0.42
▸ HCRTR2 O43614 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PDE4B Q07343 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ PDE4D Q08499 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4C Q08493 1/20 0.40

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
SCHEMBL14484727 0.91 MAOB (0.61) MAOBALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL15086708 0.87 MAOB (0.74) MAOBALDH1A1LMNASMN1; SMN2PGR
SCHEMBL15086704 0.87 MAOB (0.61) MAOBALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL15086743 0.85 MAOB (0.60) MAOBLMNASMN1; SMN2MAPK1NPC1
SCHEMBL14553599 0.84 MAOB (0.64) MAOBALDH1A1LMNAPGRMAPK1
SCHEMBL14484491 0.83 MAOB (0.68) MAOBALDH1A1LMNASMN1; SMN2PGR
SCHEMBL14553543 0.82 ALDH1A1 (0.46) MAOBALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL14484272 0.82 MAOB (0.58) MAOBALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL14484347 0.82 MAOB (0.67) MAOBALDH1A1LMNASMN1; SMN2PGR
SCHEMBL14484713 0.82 MAOB (0.67) MAOBALDH1A1LMNASMN1; SMN2PGR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170368030-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-12-28 — — US disclosed
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-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-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-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-8791114-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-07-29 — — US disclosed
EP-2726463-A2 DIHYDROPYRAZOLES Merck Patent GmbH (DE) 2014-05-07 — — EP 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
US-20130172351-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2013-07-04 — — US disclosed
WO-2013006308-A2 DIHYDROPYRAZOLES MERCK PATENT GMBH (DE) 2013-01-10 — — WO disclosed
WO-2013006308-A2 DIHYDROPYRAZOLES MERCK PATENT GMBH (DE) 2013-01-10 — — 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 (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 3805/4885ALDH1A1 3510/4885LMNA 3712/4885
US-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885ALDH1A1 3510/4885LMNA 3712/4885
US-20140296238-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885ALDH1A1 3510/4885LMNA 3712/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR MAOB 3805/4885ALDH1A1 3510/4885LMNA 3712/4885

“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.

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