SCHEMBL3664098

SCHEMBL3664098

O=C(O)c1cn2c(n1)CCC(c1ccccc1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.54
SRD5A1 P18405 1/20 0.43
RIPK1 Q13546 4/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
ADRA1D P25100 1/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
SCD5 Q86SK9 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
Hydrochloric Acid SCHEMBL4090130 0.99 ADRA1A (0.52) ADRA1ASRD5A1RIPK1ALDH1A1LMNA
SCHEMBL30845782 0.89 ADRA1A (0.51) ADRA1ASRD5A1RIPK1ALDH1A1LMNA
SCHEMBL3665949 0.89 ADRA1A (0.43) ADRA1AALDH1A1LMNANPC1RAB9A
SCHEMBL4029675 0.88 ADRA1A (0.41) ADRA1ASRD5A1ALDH1A1LMNANPC1
SCHEMBL3664232 0.88 HDAC2 (0.44) ADRA1ARIPK1ALDH1A1HCAR2GAA
SCHEMBL3664719 0.86 MYC (0.41) ADRA1ARIPK1KMT2ANPC1RAB9A
SCHEMBL4028305 0.86 SCD5 (0.45) ADRA1AHCAR2NPC1SCD5SCD
SCHEMBL3665381 0.84 ADRA1A (0.44) ADRA1AALDH1A1LMNANPC1RAB9A
SCHEMBL4026155 0.84 NPC1 (0.41) ADRA1ASRD5A1RIPK1ALDH1A1NPC1
SCHEMBL3663013 0.84 MRGPRX4 (0.47) ADRA1ANPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT EPISCRIBE LLC 2021-12-02 US disclosed
WO-2019102494-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-05-31 WO disclosed
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
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
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-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
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
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
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
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 (2 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-20210371431-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 ADRA1A 2797/4885SRD5A1 710/4885RIPK1 1050/4885
US-20090186902-A1 Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions HRH4, TRPV1, QDPR ADRA1A 517/4885SRD5A1 1030/4885RIPK1 3344/4885

“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.