SCHEMBL4420245

SCHEMBL4420245

c1ccc(N2CCNCC2)c(C2CCOCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.53
HTR1A P08908 4/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
HTR6 P50406 3/20 0.45
HTR3E A5X5Y0 3/20 0.45
HTR3B O95264 3/20 0.45
HTR3A P46098 3/20 0.45
HTR3D Q70Z44 3/20 0.45
HTR3C Q8WXA8 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
HTR7 P34969 3/20 0.45
HTR2A P28223 2/20 0.45
HTR5A P47898 2/20 0.45
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
NCF1 P14598 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL8291557 0.89 ADRB1 (0.61) ADRB1HTR1ASLC6A2SLC6A4HTR6
SCHEMBL27868018 0.88 HTR2C (0.47) ADRB1HTR1ASLC6A2SLC6A4HTR6
SCHEMBL28291412 0.87 ADRB1 (0.59) ADRB1HTR1ASLC6A2SLC6A4HTR6
Hydrochloric Acid SCHEMBL7836810 0.87 HTR1A (0.59) ADRB1HTR1ASLC6A2SLC6A4HTR6
SCHEMBL4849474 0.84 ADRB1 (0.56) ADRB1HTR1ASLC6A2SLC6A4HTR6
SCHEMBL4849498 0.84 ADRB1 (0.56) ADRB1HTR1ASLC6A2SLC6A4HTR6
SCHEMBL4856101 0.84 ADRB1 (0.56) ADRB1HTR1ASLC6A2SLC6A4HTR6
SCHEMBL23064481 0.82 ACHE (0.47) HTR1ASLC6A2SLC6A4TSHRHSD17B10
SCHEMBL4258576 0.79 ADRB1 (0.50) ADRB1HTR1ASLC6A2SLC6A4HTR6
SCHEMBL10162334 0.79 DDB1 (0.41) ADRB1HTR1ASLC6A2SLC6A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 US disclosed
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES JOLIDON SYNESE 2008-05-22 US disclosed
US-7319099-B2 Such as 1-{3-fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl benzoyl)-piperazin-1-yl]-phenyl}-ethanone for treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia, attention deficit disorders, or Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 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 (2 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 ADRB1 630/4885HTR1A 410/4885SLC6A2 13/4885
US-20080119486-A1 BENZOYL-PIPERAZINE DERIVATIVES SLC1A2, SLC18A2, SLC6A7 ADRB1 630/4885HTR1A 410/4885SLC6A2 13/4885

“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.