SCHEMBL4279935

SCHEMBL4279935

COc1cccc(OC)c1OC(C)NCC1COc2ccccc2O1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 15/20 0.62
ADRA1A P35348 15/20 0.62
ADRA1B P35368 15/20 0.62
HTR1A P08908 6/20 0.62
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 2/20 0.62
CYP3A4 P08684 2/20 0.62
KMT2A Q03164 2/20 0.62
TSHR P16473 2/20 0.62
KDM4E B2RXH2 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPK1 P28482 1/20 0.62
CYP2C19 P33261 1/20 0.62
THPO P40225 1/20 0.62
ADRA2A P08913 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
LMNA P02545 1/20 0.61
PMP22 Q01453 1/20 0.61

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 SCHEMBL989001 0.99 ADRA1D (0.63) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL9788804 0.89 ADRA1D (0.57) ADRA1DADRA1AADRA1BHTR1AALDH1A1
Hydrochloric Acid SCHEMBL15755823 0.88 ADRA1D (0.58) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL10583793 0.78 ADRA1D (0.55) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL800982 0.77 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL29387392 0.77 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL13532085 0.77 POLB (0.60) ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL989002 0.76 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL9028670 0.74 ADRA1D (0.70) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL9028303 0.74 ADRA1D (0.70) ADRA1DADRA1AADRA1BHTR1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001034124-A2 USE OF 5HT-1A-SEROTONINE RECEPTOR AGONISTS FOR TREATING GENETIC OR FUNCTIONAL RHYTHM DISORDERS IN THE RESPIRATORY SYSTEM RICHTER DIETHELM WOLFGANG (DE) 2001-05-17 WO claimed
JP-9169607-A None JP disclosed
US-20090143279-A1 Methods and compositions for treating metabolic disorders PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-06-04 US disclosed
JP-H09169607-A ANTIFOULING AGENT CONTAINING ADRENERGIC ALPHA RECEPTOR-BLOCKING AGENT AS AN ACTIVE INGREDIENT KAGAKU GIJUTSU SHINKO JIGYODAN 1997-06-30 JP disclosed
US-5594034-A ADMINISTERING DIRECT ACTING 5-HYDROXYTRYPTAMINE AGONIST TO MAMMAL ELI LILLY AND COMPANY (US) 1997-01-14 US disclosed
US-5594025-A Method of inhibiting gastric acid secretion with 5-substituted-3-aminochromane ELI LILLY AND COMPANY (US) 1997-01-14 US disclosed
EP-0455510-B1 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion LILLY CO ELI (US) 1996-11-27 EP disclosed
US-5576352-A Method of inhibiting gastric acid secretion with aryloxypropanolamines ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
US-5457120-A Antisecretory and antiserotonine agents ELI LILLY AND COMPANY (US) 1995-10-10 US disclosed
US-5258379-A ADMINISTERING IN AN EFFECTIVE DOSAGE TO MAMMALS ELI LILLY AND COMPANY (US) 1993-11-02 US disclosed
US-5158956-A Administering serotonin receptor agonist ELI LILLY AND COMPANY (US) 1992-10-27 US disclosed
US-5096908-A 5-HT1A agonist ELI LILLY AND COMPANY (US) 1992-03-17 US disclosed
EP-0455510-A2 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion ELI LILLY AND COMPANY (US) 1991-11-06 EP disclosed
US-5030639-A N-substituted-5,6-dimethoxy-1,2-benzisoxazole-3-propanamine and related compounds as analgesic and hypotensive agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-07-09 US disclosed
US-4980365-A N-substituted-5,6-dimethoxy-1,2-benzisoxazole-3-propanamine and related compounds as analgesic and hypotensive agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-12-25 US disclosed
US-4957914-A ANTIDEPRESSANTS, ANXIOLYTICS, HYPOTENSIVE AGENTS SYNTEX (U.S.A.) INC. (US) 1990-09-18 US disclosed
US-4305944-A TRANQUILIZERS, NEUROLEPTIC AGENTS MEAD JOHNSON & COMPANY (US) 1981-12-15 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-20090143279-A1 Methods and compositions for treating metabolic disorders PC, PCK2, CS ADRA1D 3501/4885ADRA1A 2672/4885ADRA1B 3152/4885

“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.