SCHEMBL6403354

SCHEMBL6403354

CN1CCC(Oc2cc(OCc3ccccc3)cc3c2CNC(=O)N3)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42
CREBBP Q92793 1/20 0.41
HRH1 P35367 1/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
ALOX5 P09917 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
NEK2 P51955 2/20 0.39
PLK1 P53350 1/20 0.39
SLC6A4 P31645 1/20 0.38
HTR6 P50406 1/20 0.38
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6403348 0.75 HTR2C (0.45) MCHR1HTR2CHTR2BHRH1HRH3
SCHEMBL3278994 0.73 IP6K1 (0.47) MCHR1HTR2CHTR2BMMP13MMP14
SCHEMBL3282931 0.71 PDE3A (0.44) CREBBP
SCHEMBL6405506 0.70 KDM1A (0.45) CREBBPMAOAMAOBKDM1A
SCHEMBL6428901 0.69 KCNH2 (0.32)
SCHEMBL3274950 0.69 HTR2C (0.53) HTR2CHTR2BNEK2PLK1SLC6A4
SCHEMBL4037123 0.69 PDE4B (0.37) CREBBPMAOAMAOBRAB9A
SCHEMBL28355190 0.68 MAOB (0.66) CREBBPMAOAMAOB
SCHEMBL7254642 0.68 MCHR1 (0.54) MCHR1HTR2CHTR2BMAOAHRH3
SCHEMBL5415772 0.65 MEN1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 MCHR1 2603/4885HTR2C 921/4885HTR2B 2229/4885

“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.