SCHEMBL6283315

SCHEMBL6283315

COc1ccc(F)c(C(O)C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.41
ADRA1A P35348 2/20 0.41
CYP2D6 P10635 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
CPS1 P31327 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
DHFR P00374 1/20 0.35

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
SCHEMBL8726432 0.81 ADRA1A (0.58) ADRA2AADRA1ACYP2D6KMT2AMEN1
SCHEMBL16518004 0.81 CYP2D6 (0.40) ADRA2AADRA1ACYP2D6KMT2AMEN1
SCHEMBL10905892 0.81 SCN9A (0.40) CYP2D6KMT2AMEN1MAPK1BLM
SCHEMBL10908235 0.80 TSHR (0.41)
SCHEMBL31119047 0.79 ADRA2A (0.49) ADRA2AADRA1ACYP2D6KMT2AMEN1
SCHEMBL7860955 0.78 CA12 (0.47) ADRA2AADRA1ACYP2D6KMT2AMEN1
SCHEMBL10905982 0.77 PARP10 (0.42)
SCHEMBL10904100 0.77 FFAR4 (0.39) KMT2ASCN3A
SCHEMBL7817448 0.76 TRIM24 (0.53) ADRA2AADRA1ACYP2D6KMT2AMEN1
SCHEMBL17115832 0.76 CYP2D6 (0.43) ADRA2AADRA1ACYP2D6KMT2AMEN1

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.