SCHEMBL3662339

SCHEMBL3662339

COc1ccccc1N1CCN(C(=O)c2cn3c(n2)CCC(c2cc(C)c(OC)c(C)c2)C3)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
TACR3 P29371 3/20 0.49
MAPT P10636 9/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TACR2 P21452 1/20 0.45
TACR1 P25103 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL3664322 0.91 SMN1; SMN2 (0.47) KMT2AMAPTLMNATSHRALDH1A1
SCHEMBL3665948 0.84 KMT2A (0.49) KMT2AMAPTLMNATSHRALDH1A1
SCHEMBL3665380 0.83 NPSR1 (0.46) KMT2AMAPTLMNAHTTTSHR
SCHEMBL3665300 0.81 TSHR (0.48) KMT2AMAPTLMNAHTTTSHR
SCHEMBL3660418 0.81 CYP2C9 (0.46) KMT2AHTTALDH1A1MEN1CYP2C9
SCHEMBL3662200 0.79 RAB9A (0.49) KMT2AMAPTLMNAHTTTSHR
SCHEMBL3660427 0.77 KDM4E (0.35) KMT2ALMNAHTTALDH1A1MEN1
Hydrochloric Acid SCHEMBL4089608 0.77 KDM4E (0.35) KMT2ALMNAHTTALDH1A1MEN1
SCHEMBL3666531 0.74 WDR5 (0.41) MAPTALDH1A1NPSR1KDM4ECYP1A2
SCHEMBL3667047 0.73 TSHR (0.47) KMT2AMAPTLMNAHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288424-B2 Substituted tetrahydroimidazopyridine compounds and the use thereof in the treatment of pain and other conditions GRUENENTHAL GMBH (DE) 2012-10-16 US claimed
EP-2235013-B1 SUBSTITUTED TETRAHYDROIMIDAZOPYRIDINE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICALS GRUENENTHAL GMBH (DE) 2012-08-01 EP claimed
EP-2235013-A1 SUBSTITUTED TETRAHYDROIMIDAZOPYRIDINE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICALS Grünenthal GmbH (DE) 2010-10-06 EP claimed
WO-2009092565-A1 SUBSTITUTED TETRAHYDROIMIDAZOPYRIDINE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICALS Grünenthal GmbH (DE) 2009-07-30 WO claimed
EP-2083009-A1 Substituted tetrahydroimidazopyridine compounds and their use in medicine Grünenthal GmbH (DE) 2009-07-29 EP claimed
US-20090186902-A1 Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-07-23 US claimed
US-8288424-B2 Substituted tetrahydroimidazopyridine compounds and the use thereof in the treatment of pain and other conditions GRUENENTHAL GMBH (DE) 2012-10-16 US disclosed
EP-2235013-B1 SUBSTITUTED TETRAHYDROIMIDAZOPYRIDINE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICALS GRUENENTHAL GMBH (DE) 2012-08-01 EP disclosed
EP-2235013-A1 SUBSTITUTED TETRAHYDROIMIDAZOPYRIDINE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICALS Grünenthal GmbH (DE) 2010-10-06 EP disclosed
WO-2009092565-A1 SUBSTITUTED TETRAHYDROIMIDAZOPYRIDINE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICALS Grünenthal GmbH (DE) 2009-07-30 WO disclosed
EP-2083009-A1 Substituted tetrahydroimidazopyridine compounds and their use in medicine Grünenthal GmbH (DE) 2009-07-29 EP disclosed
US-20090186902-A1 Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-07-23 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 (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-20090186902-A1 Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions HRH4, TRPV1, QDPR KMT2A 943/4885TACR3 1014/4885MAPT 374/4885

“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.