SCHEMBL4124080

SCHEMBL4124080

CN1CCN(c2ncc(C(=O)O)c(-c3cccc4ccccc34)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.48
HTR3A P46098 2/20 0.48
TACR1 P25103 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 6/20 0.43
CYP1A2 P05177 4/20 0.43
CASP1 P29466 4/20 0.43
CASP7 P55210 4/20 0.43
HSD17B10 Q99714 3/20 0.43
USP2 O75604 3/20 0.43
HIF1A Q16665 2/20 0.43
GLA P06280 1/20 0.43
TNKS O95271 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HPGD P15428 2/20 0.43
ACHE P22303 1/20 0.43
HTR2C P28335 1/20 0.43
CYP3A4 P08684 2/20 0.42

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
Methylpiperazine SCHEMBL6016296 0.94 TACR1 (0.43) HRH4HTR3ATACR1L3MBTL1KDM4E
SCHEMBL4125241 0.86 ALDH1A1 (0.45) HTR3AKDM4EALDH1A1CYP1A2CASP1
SCHEMBL4133043 0.86 PIK3CA (0.52) KDM4EALDH1A1CYP1A2CASP1CASP7
SCHEMBL4130476 0.86 TACR1 (0.59) HRH4HTR3ATACR1L3MBTL1ALDH1A1
Piperazine SCHEMBL6016624 0.85 ALDH1A1 (0.44) HTR3AKDM4EALDH1A1CYP1A2CASP1
SCHEMBL4129695 0.85 TSHR (0.51) HRH4HTR3ATACR1L3MBTL1ALDH1A1
SCHEMBL4112070 0.85 HRH4 (0.49) HRH4HTR3ATACR1L3MBTL1KDM4E
SCHEMBL4118986 0.85 TACR1 (0.47) HRH4HTR3ATACR1L3MBTL1ALDH1A1
SCHEMBL4119303 0.83 CYP1A2 (0.48) HRH4HTR3ATACR1L3MBTL1ALDH1A1
SCHEMBL6016473 0.83 ALDH1A1 (0.57) HRH4HTR3AL3MBTL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2016-02-04 US claimed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 US claimed
EP-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP claimed
US-20050107380-A1 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2005-05-19 US claimed
EP-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 EP claimed
US-6274588-B1 NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. 2001-08-14 US claimed
WO-2000073279-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 WO claimed
US-10201568-B2 Brain, spinal, and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2019-02-12 US disclosed
US-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2018-03-15 US disclosed
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2016-02-04 US disclosed
US-9186404-B2 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2015-11-17 US disclosed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 US disclosed
EP-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP disclosed
US-20050107380-A1 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2005-05-19 US disclosed
EP-1187815-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-03-20 EP disclosed
US-6274588-B1 NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. 2001-08-14 US disclosed
WO-2000073279-A1 4-PHENYL-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-12-07 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 (5 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-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT TACR1, TACR2, NPSR1 HRH4 518/4885HTR3A 182/4885TACR1 1/4885
US-20050107380-A1 Brain, spinal and nerve injury treatment TACR1, TACR2, NMUR1 HRH4 426/4885HTR3A 201/4885TACR1 1/4885
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 HRH4 426/4885HTR3A 201/4885TACR1 1/4885
US-10201568-B2 Brain, spinal, and nerve injury treatment TACR1, TACR2, NPSR1 HRH4 518/4885HTR3A 182/4885TACR1 1/4885
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 HRH4 426/4885HTR3A 201/4885TACR1 1/4885

“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.