SCHEMBL7466700

SCHEMBL7466700

OCC1COc2ccc3[nH]ccc3c2O1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.48
DRD2 P14416 11/20 0.48
PRKAB2 O43741 2/20 0.39
PRKAG1 P54619 2/20 0.39
PRKAA2 P54646 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAG3 Q9UGI9 2/20 0.39
PRKAG2 Q9UGJ0 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
AIMP2 Q13155 1/20 0.35
HTR2A P28223 6/20 0.35
HTR2C P28335 6/20 0.35
HTR2B P41595 6/20 0.35
SLC6A4 P31645 1/20 0.32
MAPT P10636 1/20 0.32
P2RX7 Q99572 1/20 0.31

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
SCHEMBL7466691 1.00 HTR1A (0.48) HTR1ADRD2PRKAB2PRKAG1PRKAA2
SCHEMBL14064198 0.77 HTR1A (0.53) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL6107718 0.76 DRD2 (0.43) HTR1ADRD2DRD4DRD3AIMP2
SCHEMBL7685745 0.75 ACHE (0.39) HTR1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7470402 0.74 HTR1A (0.54) HTR1ADRD2PRKAB2PRKAG1PRKAA2
SCHEMBL7470411 0.74 HTR1A (0.54) HTR1ADRD2PRKAB2PRKAG1PRKAA2
SCHEMBL8123944 0.74 CYP19A1 (0.43) HTR1AMAPT
SCHEMBL6631298 0.73 DRD2 (0.43) HTR1ADRD2DRD4DRD3HTR2A
SCHEMBL4361994 0.73 DRD2 (0.43) HTR1ADRD2DRD4DRD3HTR2A
SCHEMBL6107714 0.73 HTR1A (0.39) HTR1ADRD2AIMP2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876372-B1 HETEROARYLCARBOXAMIDE DERIVATIVES KNOLL GMBH (DE) 2002-03-06 EP disclosed
US-6353002-B2 DIOXINOINDOLE AND THIENOBENZODIOXIN COMPOUNDS WHICH ARE HT3 RECEPTOR ANTAGONISTS AND ARE USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2002-03-05 US disclosed
US-20010008903-A1 Therapeutic agents BIRCH ALAN MARTIN (GB) 2001-07-19 US disclosed
US-6201004-B1 CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, EATING, CARDIOVASCULAR, BRAIN, AND GASTROINTESTINAL DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed
US-6107310-A PSYCHOLOGICAL DISORDERS KNOLL AKTIENGESELLSCHAFT (DE) 2000-08-22 US disclosed
EP-0876372-A1 HETEROARYLCARBOXAMIDE DERIVATIVES KNOLL AKTIENGESELLSCHAFT (DE) 1998-11-11 EP disclosed
WO-1997023485-A1 HETEROARYLCARBOXAMIDE DERIVATIVES KNOLL AKTIENGESELLSCHAFT (DE) 1997-07-03 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-20010008903-A1 Therapeutic agents GPR119, SNCA, HTR2B HTR1A 5/4885DRD2 94/4885PRKAB2 2479/4885

“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.