SCHEMBL30288233

SCHEMBL30288233

CC(C)(c1cccc(NCC2CC2)c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
CRHR1 P34998 4/20 0.41
CNR2 P34972 3/20 0.39
IDH1 O75874 2/20 0.39
PIM1 P11309 1/20 0.37
LIPC P11150 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
IDH2 P48735 3/20 0.37
CCKBR P32239 1/20 0.36
EPHA3 P29320 1/20 0.36
FRK P42685 1/20 0.36
MAPK14 Q16539 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL30288286 0.85 RXFP1 (0.44) RXFP1CRHR1CNR2IDH1PIM1
SCHEMBL30288260 0.84 RXFP1 (0.54) RXFP1CRHR1IDH1PIM1LIPC
SCHEMBL1241128 0.79 RXFP1 (0.61) RXFP1CRHR1PIM1LIPCLIPG
SCHEMBL30288262 0.79 RXFP1 (0.61) RXFP1CRHR1PIM1LIPCLIPG
SCHEMBL13439179 0.78 RXFP1 (0.49) RXFP1CRHR1PIM1LIPCLIPG
SCHEMBL11935445 0.78 RXFP1 (0.49) RXFP1CRHR1PIM1LIPCLIPG
SCHEMBL13438988 0.75 CRHR1 (0.48) RXFP1CRHR1CNR2LIPCLIPG
SCHEMBL30288245 0.73 CNR2 (0.39) RXFP1CRHR1CNR2IDH1LIPC
SCHEMBL30288292 0.73 IDH1 (0.43) RXFP1CRHR1CNR2IDH1LIPC
SCHEMBL4369018 0.73 CRHR1 (0.52) CRHR1ALDH1A1

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-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2023-02-23 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 (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-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, MPST, CRAT RXFP1 931/4885CRHR1 4608/4885CNR2 2375/4885

“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.