SCHEMBL7058025

SCHEMBL7058025

O=c1[nH]c2ccccc2n1CCOC1CCCCO1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.62
POLB P06746 1/20 0.50
LMNA P02545 2/20 0.48
P2RX7 Q99572 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR7 P34969 5/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 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
SCHEMBL14198900 0.83 HPGD (0.60) HPGDPOLBLMNAP2RX7ALDH1A1
SCHEMBL20847152 0.82 HPGD (0.41) HPGDPOLBLMNAP2RX7ALDH1A1
SCHEMBL20847149 0.82 HPGD (0.41) HPGDP2RX7ALDH1A1MAPTSMN1; SMN2
SCHEMBL20847153 0.79 ALDH1A1 (0.51) HPGDLMNAALDH1A1MAPTMAPK1
SCHEMBL23997311 0.77 HPGD (1.00) HPGDPOLBLMNAP2RX7ALDH1A1
SCHEMBL7051690 0.77 P2RX3 (0.44) LMNATSHRSMN1; SMN2MEN1KMT2A
SCHEMBL21463582 0.77 KDM4C (0.42) HPGDPOLBLMNAMAPTMEN1
SCHEMBL28493760 0.77 KDM4C (0.40) HPGDPOLBLMNAMAPTMEN1
SCHEMBL28506123 0.77 KDM4C (0.42) HPGDPOLBLMNAMAPTMEN1
SCHEMBL25281274 0.76 HPGD (0.66) HPGDPOLBLMNAP2RX7ALDH1A1

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
EP-1322622-B1 NEW N, N'-DISUBSTITUTED BENZIMIDAZOLONE DERIVATIVES WITH AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS SPROUT PHARMACEUTICALS INC (US) 2012-10-31 EP disclosed
EP-1322622-A2 NEW N, N'-DISUBSTITUTED BENZIMIDAZOLONE DERIVATIVES WITH AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-02 EP disclosed
US-6521623-B1 1-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-3-(2-hydroxyethyl) -1,3-dihydro-2H-benzimidazol-2-one for example; treating anxiety disorders and psychological disorders, brain injuries BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-02-18 US disclosed
US-20030027823-A1 N,N'-disubstituted benzimidazolone derivatives with affinity at the serotonin and dopamine receptors Salix Pharmaceuticals, Ltd 2003-02-06 US disclosed
WO-2002024661-A2 NEW N, N'-DISUBSTITUTED BENZIMIDAZOLONE DERIVATIVES WITH AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-28 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-20030027823-A1 N,N'-disubstituted benzimidazolone derivatives with affinity at the serotonin and dopamine receptors OPRM1, HTR2C, HTR3C HPGD 1447/4885POLB 3973/4885LMNA 2840/4885

“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.