SCHEMBL5651513

SCHEMBL5651513

COc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(-c3nc4c[nH]cnc-4n3)c(F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.52
DRD3 P35462 10/20 0.52
DRD4 P21917 8/20 0.52
HTR1A P08908 6/20 0.52
ADRA2A P08913 4/20 0.52
ADRA1D P25100 5/20 0.49
ADRA1A P35348 5/20 0.49
ADRA1B P35368 5/20 0.49
DRD1 P21728 2/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 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
SCHEMBL5652737 0.89 SLC6A2 (0.57) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL5650284 0.85 DRD3 (0.58) DRD2DRD3HTR1AADRA2AADRA1D
SCHEMBL5651330 0.85 DRD2 (0.55) DRD2DRD3DRD4HTR1AADRA2A
SCHEMBL5653993 0.80 DRD3 (0.55) DRD2DRD3DRD4ADRA1AMEN1
SCHEMBL5653701 0.78 DRD3 (0.58) DRD2DRD3DRD4ADRA1AHTR2A
SCHEMBL5653116 0.76 DRD3 (0.58) DRD2DRD3HTR1AADRA1AHTR2A
SCHEMBL5651023 0.75 LRRK2 (0.47)
SCHEMBL5654821 0.74 CYP2D6 (0.56) CYP2D6TSHR
SCHEMBL5650125 0.73 DRD2 (0.60) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL14514784 0.73 DRD2 (0.62) DRD2DRD3DRD4HTR1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis 3-V BIOSCIENCES, INC. 2005-02-17 US 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-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis NR0B2, NR0B1, NCOR1 DRD2 3803/4885DRD3 3697/4885DRD4 4657/4885

“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.