SCHEMBL2980038

SCHEMBL2980038

CCOC(=O)CN1CCCC1c1ccc(CN2CCOCC2)n1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HRH3 Q9Y5N1 9/20 0.40
POLB P06746 1/20 0.38
AKT1 P31749 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
STAT3 P40763 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2978126 0.97 GAA (0.41) GAAL3MBTL1HRH3POLBAKT1
Hydrochloric Acid SCHEMBL2964835 0.96 GAA (0.41) GAAL3MBTL1HRH3POLBAKT1
SCHEMBL2979691 0.85 GAA (0.38) GAAL3MBTL1HRH3POLBAKT1
SCHEMBL2979808 0.80 HRH3 (0.39) GAAL3MBTL1HRH3POLBLMNA
SCHEMBL2979695 0.75 GAA (0.39) GAAL3MBTL1HRH3POLBHTT
SCHEMBL2979687 0.73 ALDH1A1 (0.35) GAAL3MBTL1POLBAKT1HTT
SCHEMBL27984492 0.69 SMN1; SMN2 (0.48) HRH3MAPTSMN1; SMN2ALDH1A1
SCHEMBL2978985 0.68 KDM1A (0.43) POLBTSHRLMNAMAPTMAPK1
SCHEMBL2978128 0.67 KDM1A (0.43) HRH3POLBTSHRLMNAMAPT
Hydrochloric Acid SCHEMBL2978982 0.67 KDM1A (0.43) POLBTSHRLMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776903-B2 Pharmaceutical preparations containing substituted 2,5-diaminomethyl-1H-pyrroles GRUENENTHAL GMBH (DE) 2010-08-17 US claimed
EP-1578416-B1 MEDICAMENTS CONTAINING SUBSTITUTED 2,5-DIAMINOMETHYL-1H-PYRROLES GRUENENTHAL GMBH (DE) 2006-08-02 EP claimed
US-20050272782-A1 Pharmaceutical preparations containing substituted 2,5-diaminomethyl-1H-pyrroles GRUENENTHAL GMBH (DE) 2005-12-08 US claimed
US-7776903-B2 Pharmaceutical preparations containing substituted 2,5-diaminomethyl-1H-pyrroles GRUENENTHAL GMBH (DE) 2010-08-17 US disclosed
US-20050272782-A1 Pharmaceutical preparations containing substituted 2,5-diaminomethyl-1H-pyrroles GRUENENTHAL GMBH (DE) 2005-12-08 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-20050272782-A1 Pharmaceutical preparations containing substituted 2,5-diaminomethyl-1H-pyrroles THPO, ADCYAP1R1, DPYD GAA 607/4885L3MBTL1 4882/4885HRH3 1443/4885

“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.