SCHEMBL4024258

SCHEMBL4024258

COc1ccc(OC)c(C2CCc3nc(C(=O)N4CC5(C)CC4CC(C)(C)C5)cn3C2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
AVPR1A P37288 9/20 0.52
AVPR2 P30518 8/20 0.52
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HTT P42858 3/20 0.52
NPSR1 Q6W5P4 3/20 0.51
MAPT P10636 1/20 0.51
LMNA P02545 3/20 0.50
TSHR P16473 3/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 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
SCHEMBL4026901 0.92 MEN1 (0.51) HPGDAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL3665385 0.82 HPGD (0.45) HPGDAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL3660863 0.81 MEN1 (0.52) HPGDAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL3659678 0.79 POLB (0.54) HPGDAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL4026516 0.79 POLB (0.49) HPGDAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL3665866 0.78 POLB (0.46) HPGDAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL3664333 0.72 PROKR1 (0.44) HPGDALDH1A1MEN1KMT2ANPSR1
SCHEMBL3663723 0.70 RBP4 (0.40)
SCHEMBL13355138 0.70 ALDH1A1 (1.00) HPGDAVPR1AAVPR2ALDH1A1MEN1
SCHEMBL12753720 0.66 LMNA (0.64) AVPR1AAVPR2MEN1KMT2ANPSR1

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 8 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-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-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 HPGD 159/4885AVPR1A 17/4885AVPR2 8/4885

“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.