SCHEMBL4428154

SCHEMBL4428154

Cn1c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.58
HTR2A P28223 2/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
P2RX7 Q99572 2/20 0.55
GLA P06280 1/20 0.55
MAPT P10636 1/20 0.55
NTSR1 P30989 1/20 0.55
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
CHRM5 P08912 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP2D6 P10635 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54

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
SCHEMBL8776022 0.81 HSD11B1 (0.62) HSD11B1
SCHEMBL4435849 0.80 HTR3A (0.67) ALDH1A1SMN1; SMN2LMNAKDM4EHPGD
SCHEMBL14685202 0.79 HSD11B1 (0.60) HSD11B1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14685207 0.79 HSD11B1 (0.60) HSD11B1ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL10464177 0.79 WHR1 (0.48) HTR2AALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL4940460 0.78 HSD11B1 (0.58) HSD11B1ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL4428203 0.76 NPSR1 (0.58) HTR2ASMN1; SMN2LMNAKDM4ETDP1
SCHEMBL2709699 0.75 HTR3A (0.63) HSD11B1MEN1KMT2A
SCHEMBL3892502 0.75 ALDH1A1 (0.61) HSD11B1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL7427136 0.75 HSD11B1 (0.56) HSD11B1ALDH1A1SMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5256665-A Process for preparing new 2-piperazinylbenzimidazole FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (ES) 1993-10-26 US claimed
EP-0512939-A1 New 2-piperazinylbenzimidazole derivatives FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1992-11-11 EP claimed
US-20090239880-A1 COMBINATIONS OF MONOAMINE REUPTAKE INHIBITORS AND POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2009-09-24 US disclosed
EP-2043641-A2 COMBINATIONS OF MONOAMINE REUPTAKE INHIBITORS AND POTASSIUM CHANNEL ACTIVATORS NeuroSearch A/S (DK) 2009-04-08 EP disclosed
WO-2008003667-A2 COMBINATIONS OF MONOAMINE REUPTAKE INHIBITORS AND POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2008-01-10 WO disclosed
EP-0512939-B1 2-piperazinylbenzimidazole derivatives ESPANOLA PROD QUIMICOS (ES) 1999-08-25 EP disclosed
US-5256665-A Process for preparing new 2-piperazinylbenzimidazole FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (ES) 1993-10-26 US disclosed
EP-0512939-A1 New 2-piperazinylbenzimidazole derivatives FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (FAES) (ES) 1992-11-11 EP 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-20090239880-A1 COMBINATIONS OF MONOAMINE REUPTAKE INHIBITORS AND POTASSIUM CHANNEL ACTIVATORS SLC6A2, SLC18A2, SLC6A4 HSD11B1 1517/4885HTR2A 68/4885ALDH1A1 1080/4885

“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.