SCHEMBL5788948

SCHEMBL5788948

COc1ccccc1-c1nc(N2CCNCC2)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
HPGD P15428 2/20 0.64
HTR2A P28223 1/20 0.64
ADORA2A P29274 1/20 0.55
HTR7 P34969 4/20 0.53
TSHR P16473 1/20 0.52
PRKCB P05771 2/20 0.52
PRKCA P17252 2/20 0.52
PRKCH P24723 2/20 0.52
PRKCE Q02156 2/20 0.52
PRKCQ Q04759 2/20 0.52
PRKCD Q05655 2/20 0.52
DAPK3 O43293 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
NTRK1 P04629 1/20 0.51
MET P08581 1/20 0.51
PIM1 P11309 1/20 0.51
PRKACA P17612 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
Hydrochloric Acid SCHEMBL5787241 0.99 ALDH1A1 (0.63) ALDH1A1HPGDHTR2AADORA2AHTR7
SCHEMBL5787992 0.88 HTR2A (0.53) ALDH1A1HPGDHTR2AHTR7PRKCB
SCHEMBL5787058 0.84 ALDH1A1 (0.69) ALDH1A1HPGDHTR2AADORA2AHTR7
Hydrochloric Acid SCHEMBL5790067 0.82 ALDH1A1 (0.67) ALDH1A1HPGDHTR2AADORA2AHTR7
SCHEMBL5790102 0.81 ALDH1A1 (0.69) ALDH1A1HPGDHTR2AADORA2ATSHR
SCHEMBL5788388 0.81 ALDH1A1 (0.69) ALDH1A1HPGDHTR2ATSHRPRKCB
Hydrochloric Acid SCHEMBL5789347 0.80 ALDH1A1 (0.67) ALDH1A1HPGDHTR2ATSHRPRKCB
Hydrochloric Acid SCHEMBL5789717 0.80 ALDH1A1 (0.67) ALDH1A1HPGDHTR2AADORA2ATSHR
SCHEMBL15824624 0.80 ALDH1A1 (0.63) ALDH1A1HPGDHTR2AHTR7TSHR
SCHEMBL9216241 0.79 ALDH1A1 (0.62) ALDH1A1HPGDHTR2ATSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685115-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2006-08-02 EP claimed
WO-2005042501-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 WO claimed
US-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 US claimed
US-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 US disclosed
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 DUKE UNIVERSITY (US) 2015-11-19 US disclosed
EP-2938608-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford-Burnham Medical Research Institute (US) 2015-11-04 EP disclosed
WO-2014100501-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-26 WO disclosed
EP-1685115-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2006-08-02 EP disclosed
WO-2005042501-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 WO disclosed
US-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-05-05 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-20050096327-A1 Novel norepinephrine reuptake inhibitors for the treatment of central nervous system disorders SLC6A2, SLC18A2, SLC6A3 ALDH1A1 730/4885HPGD 2714/4885HTR2A 52/4885
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 ALDH1A1 3294/4885HPGD 2659/4885HTR2A 252/4885

“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.