SCHEMBL5884397

SCHEMBL5884397

Nc1ccccc1NCCN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.57
HRH3 Q9Y5N1 2/20 0.54
ACP1 P24666 1/20 0.49
SMARCA2 P51531 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
APAF1 O14727 1/20 0.47
NPC1 O15118 1/20 0.47
NSD2 O96028 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ACHE P22303 1/20 0.47
DPP7 Q9UHL4 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 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
SCHEMBL11722763 0.98 DRD3 (0.59) DRD3HRH3ACP1SMARCA2ALDH1A1
SCHEMBL11713412 0.90 HRH3 (0.56) DRD3HRH3ACP1
SCHEMBL3874659 0.89 HRH3 (0.53) DRD3HRH3ACP1
Hydrochloric Acid SCHEMBL3876019 0.87 HRH3 (0.52) DRD3HRH3ACP1
SCHEMBL3879184 0.85 KAT2B (0.47) DRD3L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL6528435 0.84 KMT2A (0.51) ACP1SMARCA2GAAL3MBTL1APAF1
SCHEMBL29504400 0.84 KMT2A (0.51) ACP1SMARCA2GAAL3MBTL1APAF1
Hydrochloric Acid SCHEMBL3882917 0.84 KAT2B (0.46) DRD3L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL7370267 0.81 ALDH1A1 (0.51) ALDH1A1GAAMAPTSMN1; SMN2MEN1
SCHEMBL791880 0.80 DRD3 (0.61) DRD3HRH3ACP1SMARCA2APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183313-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LTD (IE) 2017-06-29 US disclosed
US-20150126553-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NOGRA PHARMA LIMITED (IE) 2015-05-07 US disclosed
US-7022714-B2 Aryl substituted benzimidazoles and their use as sodium channel blockers EURO-CELTIQUE S.A. (LU) 2006-04-04 US disclosed
EP-1532119-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2005-05-25 EP disclosed
US-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers PURDUE PHARMA L.P. 2004-07-08 US disclosed
WO-2004011439-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2004-02-05 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 (3 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-20150126553-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NFATC1, RORC, ICOS DRD3 1284/4885HRH3 104/4885ACP1 4231/4885
US-20170183313-A1 BICYCLIC HETEROCYCLES CAPABLE OF MODULATING T-CELL RESPONSES, AND METHODS OF USING SAME NFATC1, RORC, ICOS DRD3 1260/4885HRH3 104/4885ACP1 4252/4885
US-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers CACNA1S, CACNA1I, SCN1A DRD3 948/4885HRH3 2606/4885ACP1 4393/4885

“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.