SCHEMBL7470411

SCHEMBL7470411

O=C(O)c1cc2c3c(ccc2[nH]1)OCC(CO)O3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.54
DRD2 P14416 11/20 0.54
HTR2A P28223 8/20 0.53
HTR2C P28335 8/20 0.53
HTR2B P41595 8/20 0.53
PRKAB2 O43741 2/20 0.44
PRKAG1 P54619 2/20 0.44
PRKAA2 P54646 2/20 0.44
PRKAA1 Q13131 2/20 0.44
PRKAG3 Q9UGI9 2/20 0.44
PRKAG2 Q9UGJ0 2/20 0.44
PRKAB1 Q9Y478 2/20 0.44
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
NGFR P08138 1/20 0.36
MEN1 O00255 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36

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
SCHEMBL7470402 1.00 HTR1A (0.54) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7681490 0.79 HTR1A (0.47) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7681499 0.79 HTR1A (0.47) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL24149616 0.76 KDM4E (0.48) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7035903 0.76 KDM4E (0.48) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7466691 0.74 HTR1A (0.48) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL7466700 0.74 HTR1A (0.48) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL3761317 0.70 PRKAB2 (0.43) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL8595403 0.70 PRKAB2 (0.43) HTR1ADRD2HTR2AHTR2CHTR2B
SCHEMBL9384176 0.69 KDM4E (0.49) KDM4EALDH1A1HSD17B10LMNANGFR

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 9 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-0966470-A1 DIOXINO DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1999-12-29 EP disclosed
EP-0876372-A1 HETEROARYLCARBOXAMIDE DERIVATIVES KNOLL AKTIENGESELLSCHAFT (DE) 1998-11-11 EP disclosed
WO-1998040386-A1 DIOXINO DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-09-17 WO 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 94/4885HTR2A 28/4885

“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.