SCHEMBL12563296

SCHEMBL12563296

Cc1c(F)cc([C@@H](C)N)cc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
AKT1 P31749 3/20 0.35
RPS6KA1 Q15418 3/20 0.35
PRKCA P17252 1/20 0.35
GRK2 P25098 1/20 0.35
PDE2A O00408 2/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
DPP4 P27487 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL19654073 1.00 ADRB2 (0.36) ADRB2AKT1RPS6KA1PRKCAGRK2
SCHEMBL19654075 1.00 ADRB2 (0.36) ADRB2AKT1RPS6KA1PRKCAGRK2
SCHEMBL7795357 0.82 CES2 (0.39) ADRB2AKT1RPS6KA1PRKCAGRK2
SCHEMBL7804306 0.82 CES2 (0.39) ADRB2AKT1RPS6KA1PRKCAGRK2
SCHEMBL4087773 0.82 CES2 (0.39) ADRB2AKT1RPS6KA1PRKCAGRK2
SCHEMBL5721005 0.80 ADRB2 (0.39) ADRB2PDE2AHDAC1HDAC6DPP4
Hydrochloric Acid SCHEMBL7787841 0.80 CES2 (0.38) ADRB2AKT1RPS6KA1PRKCAGRK2
Hydrochloric Acid SCHEMBL7787647 0.80 CES2 (0.38) ADRB2AKT1RPS6KA1PRKCAGRK2
SCHEMBL5380674 0.80 ADRB2 (0.39) ADRB2PDE2AHDAC1HDAC6DPP4
SCHEMBL4547937 0.79 EIF4A3 (0.40) ADRB2HDAC1HDAC6

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-20170342027-A1 CHIRAL RESOLUTION METHOD OF N-[4-(1-AMINOETHYL)-PHENYL]-SULFONAMIDE DERIVATIVES AMOREPACIFIC CORPORATION (KR) 2017-11-30 US disclosed
US-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-06-23 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 (2 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-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 ADRB2 341/4885AKT1 4131/4885RPS6KA1 2766/4885
US-20170342027-A1 CHIRAL RESOLUTION METHOD OF N-[4-(1-AMINOETHYL)-PHENYL]-SULFONAMIDE DERIVATIVES DHCR24, SRR, ACMSD ADRB2 1629/4885AKT1 2654/4885RPS6KA1 1945/4885

“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.