SCHEMBL7593369

SCHEMBL7593369

O=C(c1ccc(-c2ccc(OCCCN3CCC[C@H]3CO)cc2)cc1)N1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.66
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
ADRA2C P18825 1/20 0.53
CHRM3 P20309 1/20 0.53
DRD4 P21917 1/20 0.53
SLC6A2 P23975 1/20 0.53
HRH2 P25021 1/20 0.53
SLC6A4 P31645 1/20 0.53
HRH1 P35367 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HRH4 Q9H3N8 1/20 0.53

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
SCHEMBL7594388 1.00 HRH3 (0.66) HRH3ALDH1A1HPGDMEN1KMT2A
SCHEMBL5214588 0.83 HRH3 (0.67) HRH3ALDH1A1HPGDMEN1KMT2A
SCHEMBL4089542 0.79 HRH3 (0.97) HRH3ALDH1A1HPGDMEN1KMT2A
SCHEMBL7599273 0.78 HRH3 (0.90) HRH3HRH2HRH1
SCHEMBL7599220 0.78 HRH3 (0.93) HRH3ALDH1A1HPGDMEN1KMT2A
SCHEMBL5216263 0.77 HRH3 (0.76) HRH3ALDH1A1HPGDMEN1KMT2A
SCHEMBL5217570 0.77 HRH3 (1.00) HRH3HRH2HRH1
Bromide SCHEMBL7251230 0.76 HRH3 (0.57) HRH3ALDH1A1HPGDSMN1; SMN2
Bromide SCHEMBL7251226 0.76 HRH3 (0.57) HRH3ALDH1A1HPGDSMN1; SMN2
SCHEMBL7293014 0.74 OXTR (0.64)

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-20020111340-A1 Aminoalkoxybiphenylcarboxamides as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2002-08-15 US claimed
US-6316475-B1 TREATMENT OF CANCER, ASTHMA, HEART DISEASES, SEIZURES, INFLAMMATION ABBOTT LABORATORIES 2001-11-13 US claimed
US-20020111340-A1 Aminoalkoxybiphenylcarboxamides as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2002-08-15 US disclosed
US-6316475-B1 TREATMENT OF CANCER, ASTHMA, HEART DISEASES, SEIZURES, INFLAMMATION ABBOTT LABORATORIES 2001-11-13 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-20020111340-A1 Aminoalkoxybiphenylcarboxamides as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH2 HRH3 1/4885ALDH1A1 702/4885HPGD 1298/4885

“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.