SCHEMBL2963313

SCHEMBL2963313

CCOC(=O)C(c1ccc(CN(CC)CC)n1C)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 3/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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 SCHEMBL2963310 0.99 KDM1A (0.45) KDM1AALDH1A1LMNAHPGDMAPT
SCHEMBL2972728 0.90 CHRM2 (0.49) KDM1AALDH1A1LMNAKMT2ACHRM2
Hydrochloric Acid SCHEMBL2972725 0.89 CHRM2 (0.48) KDM1AALDH1A1LMNAKMT2ACHRM2
SCHEMBL2963316 0.81 KDM1A (0.45) KDM1AALDH1A1LMNAHPGDMAPT
SCHEMBL2978985 0.80 KDM1A (0.43) KDM1AALDH1A1LMNAHPGDMAPT
Hydrochloric Acid SCHEMBL2978982 0.79 KDM1A (0.43) KDM1AALDH1A1LMNAHPGDMAPT
SCHEMBL2978128 0.79 KDM1A (0.43) KDM1AALDH1A1LMNAHPGDMAPT
Hydrochloric Acid SCHEMBL2964838 0.78 KDM1A (0.42) KDM1AALDH1A1LMNAHPGDMAPT
SCHEMBL15063194 0.73 TSHR (0.62) KDM1AALDH1A1LMNAHPGDMAPT
SCHEMBL2970430 0.72 CHRM2 (0.42) ALDH1A1LMNAHPGDMAPTKMT2A

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 KDM1A 935/4885ALDH1A1 327/4885LMNA 3851/4885

“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.