SCHEMBL4658989

SCHEMBL4658989

Cn1c(CN2CCOCC2)ccc1CN1CCC(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.54
DRD4 P21917 4/20 0.51
DRD3 P35462 3/20 0.51
GRM2 Q14416 1/20 0.51
SLC18A3 Q16572 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
SIGMAR1 Q99720 4/20 0.47
CYP2C19 P33261 2/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
HTR1A P08908 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL4657761 0.82 HRH3 (0.52) MEN1KMT2A
SCHEMBL4658054 0.81 CCR3 (0.60) CARM1PRMT6TSHR
SCHEMBL18284744 0.79 DRD2 (0.58) DRD2DRD4DRD3SLC18A3MEN1
SCHEMBL4658921 0.78 LSS (0.48) DRD2DRD4DRD3GRM2SLC18A3
SCHEMBL5201188 0.76 SIGMAR1 (0.52) DRD2DRD4DRD3GRM2SLC18A3
SCHEMBL22561509 0.72 CYP2A13 (0.49) MEN1KMT2ATP53
SCHEMBL1002852 0.72 MEN1 (0.81) DRD2DRD4DRD3SLC18A3MEN1
SCHEMBL3399715 0.71 DRD2 (1.00) DRD2DRD4DRD3SLC18A3MEN1
SCHEMBL3313308 0.70 HTR7 (0.49) DRD2SLC18A3MEN1KMT2ACARM1
SCHEMBL1003503 0.70 DRD2 (0.73) DRD2DRD4DRD3SLC18A3MEN1

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
EP-1753757-B1 SUBSTITUTED 2,5-DIAMINOMETHYL-1H-PYRROLES GRUENENTHAL GMBH (DE) 2008-12-10 EP claimed
US-20070135403-A1 Substituted 2,5-diaminomethyl-1H-pyrrole compounds GRUENENTHAL GMBH (DE) 2007-06-14 US claimed
EP-1753757-A1 SUBSTITUTED 2,5-DIAMINOMETHYL-1H-PYRROLES Grünenthal GmbH (DE) 2007-02-21 EP claimed
WO-2005113549-A1 SUBSTITUTED 2,5-DIAMINOMETHYL-1H-PYRROLES Grünenthal GmbH (DE) 2005-12-01 WO claimed
EP-1753757-B1 SUBSTITUTED 2,5-DIAMINOMETHYL-1H-PYRROLES GRUENENTHAL GMBH (DE) 2008-12-10 EP disclosed
US-20070135403-A1 Substituted 2,5-diaminomethyl-1H-pyrrole compounds GRUENENTHAL GMBH (DE) 2007-06-14 US disclosed
EP-1753757-A1 SUBSTITUTED 2,5-DIAMINOMETHYL-1H-PYRROLES Grünenthal GmbH (DE) 2007-02-21 EP disclosed
WO-2005113549-A1 SUBSTITUTED 2,5-DIAMINOMETHYL-1H-PYRROLES Grünenthal GmbH (DE) 2005-12-01 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 (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-20070135403-A1 Substituted 2,5-diaminomethyl-1H-pyrrole compounds OPRL1, OPRK1, OPRM1 DRD2 55/4885DRD4 95/4885DRD3 98/4885

“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.