SCHEMBL30367909

SCHEMBL30367909

N#Cc1ccccc1C(=O)N1CCC(F)(F)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.56
ALDH1A1 P00352 2/20 0.49
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
SLC9A1 P19634 1/20 0.43
CYP2C19 P33261 1/20 0.43
CNR1 P21554 2/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
P2RX7 Q99572 1/20 0.40
AR P10275 1/20 0.40
TSHR P16473 3/20 0.40
USP2 O75604 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL4599304 0.83 HSD11B1 (0.59) HSD11B1ALDH1A1HCRTR1HCRTR2TSHR
SCHEMBL3092100 0.80 HSD11B1 (0.56) HSD11B1ALDH1A1HCRTR1HCRTR2CNR1
SCHEMBL29482199 0.79 CNR1 (0.58) HSD11B1ALDH1A1CNR1TSHRMEN1
SCHEMBL28812724 0.79 RXFP1 (0.60) HSD11B1ALDH1A1HCRTR1HCRTR2
SCHEMBL15058808 0.77 RXFP1 (0.62) HSD11B1ALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL2022309 0.75 HSP90AA1 (0.54) HSD11B1ALDH1A1HCRTR1HCRTR2CYP2C9
Trifluoroacetic Acid SCHEMBL5255358 0.74 RXFP1 (0.51) HSD11B1ALDH1A1HCRTR1HCRTR2CYP2D6
SCHEMBL20472685 0.74 CNR1 (0.44) HSD11B1ALDH1A1CYP2C19CNR1P2RX7
SCHEMBL16000518 0.74 HSD11B1 (0.57) HSD11B1ALDH1A1HCRTR1HCRTR2CYP2D6
SCHEMBL16002964 0.73 HSD11B1 (0.59) HSD11B1ALDH1A1HCRTR1HCRTR2CYP2D6

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-20230174484-A1 ANTAGONISTS OF GPR39 PROTEIN UNIV OREGON HEALTH & SCIENCE (US) 2023-06-08 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-20230174484-A1 ANTAGONISTS OF GPR39 PROTEIN GPR39, GPR139, GPR119 HSD11B1 2549/4885ALDH1A1 3167/4885HCRTR1 450/4885

“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.