SCHEMBL21045985

SCHEMBL21045985

COc1ccc(F)cc1C(C=O)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.40
SLC6A4 P31645 14/20 0.40
SLC6A3 Q01959 12/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ERN1 O75460 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
SCHEMBL10709995 0.76 SMN1; SMN2 (0.44) SMN1; SMN2
SCHEMBL20486787 0.75 KDM4E (0.41) SLC6A4SMN1; SMN2HTR2AHTR2CERN1
SCHEMBL3417280 0.75 ERN1 (0.40) SMN1; SMN2HTR2AHTR2CERN1
SCHEMBL20298587 0.74 MDM2 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL16973507 0.74 ALDH1A1 (0.43)
SCHEMBL8008022 0.71 RXRA (0.39)
SCHEMBL895659 0.71 CYP2D6 (0.49) SLC6A4HTR2AHTR2C
SCHEMBL669891 0.71 CYP2D6 (0.49) SLC6A4HTR2AHTR2C
SCHEMBL29429683 0.71 CYP2D6 (0.49) SLC6A4HTR2AHTR2C
SCHEMBL896090 0.71 CYP2D6 (0.49) SLC6A4HTR2AHTR2C

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-20190169207-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. 2019-06-06 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-20190169207-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, DAPK2 SLC6A2 4872/4885SLC6A4 4844/4885SLC6A3 4824/4885

“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.