SCHEMBL5650125

SCHEMBL5650125

O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(-c2nc3c[nH]cnc-3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.60
DRD3 P35462 4/20 0.60
ADRA1A P35348 2/20 0.60
USP2 O75604 2/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
GSK3B P49841 2/20 0.57
TSHR P16473 2/20 0.57
KCNH2 Q12809 1/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 2/20 0.55
TP53 P04637 2/20 0.53
HTR2A P28223 2/20 0.52
SLC6A4 P31645 2/20 0.52
HTR2C P28335 1/20 0.52
HTR1A P08908 1/20 0.52
HTR7 P34969 1/20 0.52
HTR6 P50406 1/20 0.52
HTT P42858 1/20 0.51
DRD4 P21917 1/20 0.51

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
SCHEMBL5653116 0.88 DRD3 (0.58) DRD2DRD3ADRA1AUSP2ALDH1A1
SCHEMBL5653701 0.88 DRD3 (0.58) DRD2DRD3ADRA1AUSP2ALDH1A1
SCHEMBL5650284 0.88 DRD3 (0.58) DRD2DRD3ADRA1AUSP2ALDH1A1
SCHEMBL5653993 0.86 DRD3 (0.55) DRD2DRD3ADRA1AUSP2ALDH1A1
SCHEMBL5651330 0.86 DRD2 (0.55) DRD2DRD3ADRA1AUSP2ALDH1A1
SCHEMBL5652737 0.84 SLC6A2 (0.57) DRD2DRD3ADRA1ASMN1; SMN2KCNH2
SCHEMBL5651979 0.78 DRD3 (0.57) DRD2DRD3ADRA1AUSP2ALDH1A1
SCHEMBL5651142 0.77 DRD3 (0.66) DRD2DRD3ADRA1AUSP2ALDH1A1
SCHEMBL5649853 0.77 DRD3 (0.59) DRD2DRD3ADRA1AUSP2ALDH1A1
SCHEMBL5652469 0.77 DRD3 (0.58) DRD2DRD3ADRA1AUSP2ALDH1A1

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 3697/4885ADRA1A 1462/4885

“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.