SCHEMBL7081828

SCHEMBL7081828

CCOCCOc1ccccc1N1CCNCC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.59
SLC6A2 P23975 4/20 0.59
SLC6A4 P31645 4/20 0.59
SLC6A3 Q01959 3/20 0.59
HTR3A P46098 3/20 0.59
HTR6 P50406 2/20 0.59
ADRB1 P08588 2/20 0.59
DRD2 P14416 2/20 0.59
DRD3 P35462 2/20 0.59
HTR3E A5X5Y0 1/20 0.59
HTR3B O95264 1/20 0.59
CYP2C19 P33261 1/20 0.59
HTR3D Q70Z44 1/20 0.59
HTR3C Q8WXA8 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
HTR7 P34969 2/20 0.50
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL8141910 0.87 HTR3A (0.61) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL6927912 0.87 HTR1A (0.64) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL7524534 0.86 HTR1A (0.68) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL255189 0.86 HTR1A (0.68) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
Hydrochloric Acid SCHEMBL7302055 0.85 LMNA (0.65) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL9319475 0.85 HTR1A (0.62) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
Hydrochloric Acid SCHEMBL16528267 0.85 MAPT (0.69) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
Hydrochloric Acid SCHEMBL787250 0.85 MAPT (0.69) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
Bromide SCHEMBL10621563 0.85 HTR1A (0.66) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL9319232 0.84 HTR1A (0.61) HTR1ASLC6A2SLC6A4SLC6A3HTR3A

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-20030040639-A1 Method for the preparation of substituted benzene derivatives H. LUNDBECK A/S (DK) 2003-02-27 US disclosed
EP-1246819-A1 A METHOD FOR THE PREPARATION OF SUBSTITUTED BENZENE DERIVATIVES H. Lundbeck A/S (DK) 2002-10-09 EP disclosed
WO-2001049681-A1 A METHOD FOR THE PREPARATION OF SUBSTITUTED BENZENE DERIVATIVES H. LUNDBECK A/S (DK) 2001-07-12 WO 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-20030040639-A1 Method for the preparation of substituted benzene derivatives SCLY, CBR3, TST HTR1A 3727/4885SLC6A2 2131/4885SLC6A4 1494/4885

“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.