SCHEMBL8230874

SCHEMBL8230874

O=C(NCCN1CCCCC1)c1ccc2c(=O)n(-c3ccc(F)cc3)c(=O)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 15/20 1.00
CACNA1G O43497 5/20 0.74
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 3/20 0.61
HSD17B10 Q99714 3/20 0.61
GAA P10253 2/20 0.61
MAPT P10636 1/20 0.61
LMNA P02545 2/20 0.59
GLA P06280 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL8230047 0.88 HTR3A (1.00) HTR3ACACNA1GALDH1A1KDM4EHSD17B10
SCHEMBL8230066 0.85 HTR3A (1.00) HTR3ACACNA1GALDH1A1KDM4EHSD17B10
SCHEMBL8230914 0.83 HTR3A (1.00) HTR3ACACNA1GALDH1A1KDM4EHSD17B10
SCHEMBL8230911 0.81 HTR3A (1.00) HTR3ACACNA1GALDH1A1KDM4EHSD17B10
SCHEMBL8222478 0.80 HTR3A (1.00) HTR3ACACNA1GALDH1A1KDM4EHSD17B10
SCHEMBL8227995 0.80 HTR3A (1.00) HTR3ACACNA1GALDH1A1KDM4EHSD17B10
SCHEMBL8222473 0.78 HTR3A (1.00) HTR3ACACNA1GALDH1A1KDM4EHSD17B10
SCHEMBL8230918 0.77 HTR3A (1.00) HTR3ACACNA1GALDH1A1KDM4EHSD17B10
SCHEMBL4252448 0.76 SMN1; SMN2 (0.66) HTR3AALDH1A1KDM4EHSD17B10GAA
SCHEMBL8227931 0.76 HTR3A (1.00) HTR3ACACNA1GALDH1A1KDM4EHSD17B10

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-8748422-B2 Pharmaceutical compositions containing quinazoline derivatives for treating as serotonin receptor antagonist KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-06-10 US disclosed
US-8748422-B2 Pharmaceutical compositions containing quinazoline derivatives for treating as serotonin receptor antagonist KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-06-10 US disclosed
US-20090054433-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING QUINAZOLINE DERIVATIVES FOR TREATING AS SEROTONIN RECEPTOR ANTAGONIST KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-02-26 US disclosed
US-20090054433-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING QUINAZOLINE DERIVATIVES FOR TREATING AS SEROTONIN RECEPTOR ANTAGONIST KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-02-26 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-20090054433-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING QUINAZOLINE DERIVATIVES FOR TREATING AS SEROTONIN RECEPTOR ANTAGONIST HTR3A, HTR3B, HTR3E HTR3A 1/4885CACNA1G 1559/4885ALDH1A1 3475/4885

“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.