SCHEMBL16705820

SCHEMBL16705820

Cc1ccc2c(ccn2CCN2CCCCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 13/20 0.63
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ NOS3 P29474 1/20 0.48
▸ NOS1 P29475 1/20 0.48
▸ NOS2 P35228 1/20 0.48
▸ ESRRG P62508 2/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ PRMT5 O14744 1/20 0.45

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
SCHEMBL21671816 0.98 HTR7 (0.64) HTR7HTR2AHTR2CNOS3NOS1
SCHEMBL13783290 0.87 HTR7 (0.54) HTR7HTR2AHTR2CNOS3NOS1
SCHEMBL23927836 0.82 HTR7 (0.67) HTR7HTR2AHTR2CPRMT5
SCHEMBL4263907 0.82 HTR7 (0.54) HTR7NOS3NOS1NOS2ESRRG
SCHEMBL23927863 0.82 HTR7 (0.61) HTR7HTR2AHTR2CNOS3NOS1
SCHEMBL2262498 0.82 HTR7 (0.54) HTR7NOS3NOS1NOS2ESRRG
SCHEMBL16705724 0.81 HTR7 (0.54) HTR7NOS3NOS1NOS2ESRRG
SCHEMBL14594152 0.81 HTR7 (0.66) HTR7NOS3NOS1NOS2ESRRG
SCHEMBL23927918 0.81 HTR7 (0.68) HTR7HTR2AHTR2CPRMT5
SCHEMBL13783320 0.80 NOS3 (0.52) HTR7HTR2AHTR2CNOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394268-B2 (E)-1-(5-methoxy-2,2-dimethyl-2H-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one and analogs thereof, as well as preparation method and use thereof SICHUAN UNIVERSITY (CN) 2016-07-19 — — US disclosed
US-20150133659-A1 (E)-1-(5-METHOXY-2,2-DIMETHYL-2H-CHROMEN-8-YL)-3-(4-METHOXYPHENYL)PROP-2-EN-1-ONE AND ANALOGS THEREOF, AS WELL AS PREPARATION METHOD AND USE THEREOF SICHUAN UNIVERSITY (CN) 2015-05-14 — — 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-20150133659-A1 (E)-1-(5-METHOXY-2,2-DIMETHYL-2H-CHROMEN-8-YL)-3-(4-METHOXYPHENYL)PROP-2-EN-1-ONE AND ANALOGS THEREOF, AS WELL AS PREPARATION METHOD AND USE THEREOF ECE1, CMA1, MME HTR7 246/4885HTR2A 369/4885HTR2C 370/4885

“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.

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