SCHEMBL4435849

SCHEMBL4435849

c1ccc(Cn2c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc3ccccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 6/20 0.67
P2RX7 Q99572 2/20 0.53
CYP2D6 P10635 5/20 0.52
HRH1 P35367 5/20 0.52
KCNH2 Q12809 3/20 0.52
CHRM1 P11229 2/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL4428203 0.93 NPSR1 (0.58) HTR3ACYP2D6HRH1KCNH2CHRM1
SCHEMBL7168715 0.89 HTR3A (0.81) HTR3ACYP2D6HRH1KCNH2CHRM1
SCHEMBL10967129 0.83 HTR3A (0.71) HTR3A
SCHEMBL7341277 0.82 HTR3A (0.75) HTR3ACYP2D6HRH1KCNH2CHRM1
Lerisetron SCHEMBL141124 0.80 HTR3A (1.00) HTR3A
Lerisetron SCHEMBL30669539 0.80 HTR3A (1.00) HTR3A
SCHEMBL4428154 0.80 HSD11B1 (0.58) P2RX7CYP2D6HRH1KCNH2CHRM1
Lerisetron SCHEMBL29040939 0.79 HTR3A (0.97) HTR3A
SCHEMBL3886902 0.79 HTR3A (0.59) HTR3AALDH1A1SMN1; SMN2
SCHEMBL15963055 0.79 HTR3A (0.65) HTR3ACYP2D6HRH1KCNH2CHRM1

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 HTR3A 81/4885P2RX7 367/4885CYP2D6 474/4885

“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.