SCHEMBL5563405

SCHEMBL5563405

CN1CCCN(c2ccc(N)cc2Cl)CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.84
KDM4E B2RXH2 5/20 0.84
RAD52 P43351 1/20 0.84
ALDH1A1 P00352 8/20 0.70
POLB P06746 2/20 0.70
HTT P42858 2/20 0.58
GAA P10253 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
PTK2B Q14289 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
THRB P10828 2/20 0.50
NR4A1 P22736 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NCF1 P14598 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ADRA2C P18825 3/20 0.47
GFER P55789 2/20 0.47
ESR2 Q92731 1/20 0.47
DRD2 P14416 1/20 0.46

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
SCHEMBL156279 0.93 MAPT (0.96) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL29507813 0.93 MAPT (0.96) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL30600570 0.89 MAPT (0.87) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL76629 0.84 ALDH1A1 (0.96) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL15358686 0.84 ALDH1A1 (0.81) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL5357582 0.84 MAPT (0.73) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL160768 0.83 ALDH1A1 (1.00) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL30336487 0.83 ALDH1A1 (1.00) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL880495 0.83 ALDH1A1 (0.59) MAPTKDM4ERAD52ALDH1A1POLB
SCHEMBL13907868 0.82 MAPT (0.57) MAPTKDM4ERAD52ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748997-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-07 EP disclosed
WO-2005111013-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
US-20050256107-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 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-20050256107-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 MAPT 1066/4885KDM4E 2298/4885RAD52 2499/4885

“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.