SCHEMBL4657901

SCHEMBL4657901

Cn1c(CN2CCCC2)ccc1CN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.50
MBTD1 Q05BQ5 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH4 Q9H3N8 1/20 0.45
NCF1 P14598 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL4659048 0.98 HRH3 (0.54) HRH3MBTD1L3MBTL3L3MBTL1HRH4
SCHEMBL4659009 0.85 HRH3 (0.53) HRH3HRH4ALDH1A1KDM4E
SCHEMBL4657919 0.85 HRH3 (0.61) HRH3ALDH1A1KDM4E
SCHEMBL4659011 0.82 HRH3 (0.55) HRH3ALDH1A1KDM4E
SCHEMBL4659051 0.81 DRD4 (0.56) ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4659014 0.81 HRH3 (0.54) HRH3ALDH1A1KDM4E
SCHEMBL4657761 0.80 HRH3 (0.52) HRH3NCF1ALDH1A1KDM4E
SCHEMBL3762346 0.77 HRH3 (0.50) HRH3ALDH1A1KDM4E
SCHEMBL4658971 0.76 HRH3 (0.64) HRH3
SCHEMBL4658026 0.76 CCR3 (0.63) HRH3L3MBTL1ALDH1A1KDM4E

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 4 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 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 HRH3 567/4885MBTD1 3654/4885L3MBTL3 4537/4885

“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.