SCHEMBL6280754

SCHEMBL6280754

COc1ccc(F)c(C(N)CO)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.45
ADRA1A P35348 2/20 0.45
CYP2D6 P10635 2/20 0.44
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
ABCB11 O95342 1/20 0.41
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6280768 1.00 ADRA2A (0.45) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL15797913 0.87 ADRA2A (0.41) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL15797906 0.87 ADRA2A (0.41) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL29337271 0.85 ADRA2A (0.42) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL1661357 0.81 ADRA1A (0.63) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL20256745 0.80 ADRA2A (0.46) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL16956236 0.80 ADRA1A (0.41) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL2823287 0.79 CYP2D6 (0.53) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL3702003 0.79 CYP2D6 (0.53) ADRA2AADRA1ACYP2D6MEN1MAPK1
SCHEMBL20238552 0.79 CYP2D6 (0.53) ADRA2AADRA1ACYP2D6MEN1MAPK1

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-6900203-B2 Optically active fluorinated vasoconstrictors, methods for making them, and anesthetic formulations comprising them POLIUM TECHNOLOGIES, INC. (US) 2005-05-31 US disclosed
US-20040002549-A1 Optically active fluorinated vasoconstrictors, methods for making them, and anesthetic formulations comprising them NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-01-01 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-20040002549-A1 Optically active fluorinated vasoconstrictors, methods for making them, and anesthetic formulations comprising them ACHE, ALKBH3, BCHE ADRA2A 1296/4885ADRA1A 854/4885CYP2D6 25/4885

“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.