SCHEMBL6494791

SCHEMBL6494791

Nc1cc(Cl)c(N2CCN(Cc3ccccc3)CC2)cc1N

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.60
DRD2 P14416 2/20 0.60
DRD3 P35462 2/20 0.60
SIGMAR1 Q99720 6/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
NPY2R P49146 1/20 0.51
PRMT1 Q99873 1/20 0.50
HTR7 P34969 1/20 0.49
NCF1 P14598 1/20 0.49

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
SCHEMBL11836396 0.85 MAPT (0.74) DRD4DRD2DRD3SIGMAR1ALDH1A1
SCHEMBL6494527 0.83 MAPT (0.64) DRD4DRD2DRD3ALDH1A1MAPT
SCHEMBL4519472 0.81 DRD4 (0.62) DRD4DRD2DRD3SIGMAR1MAPT
SCHEMBL6864941 0.80 DRD4 (0.81) DRD4DRD2DRD3SIGMAR1ALDH1A1
SCHEMBL3465194 0.80 DRD4 (0.55) DRD4DRD2DRD3SIGMAR1MAPT
SCHEMBL19212135 0.79 DRD4 (0.60) DRD4DRD2DRD3SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL27955450 0.79 SIGMAR1 (0.61) DRD4DRD2DRD3SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL7422022 0.78 PRMT1 (0.56) DRD4DRD2DRD3SIGMAR1PRMT1
SCHEMBL21596404 0.78 MAPT (0.50) ALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL6484904 0.76 DRD2 (0.53) DRD4DRD2DRD3SIGMAR1ALDH1A1

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
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 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-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR DRD4 135/4885DRD2 139/4885DRD3 289/4885

“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.