SCHEMBL25460822

SCHEMBL25460822

CNC(=O)C(C)(C)c1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.44
▸ AKR1C2 P52895 2/20 0.44
▸ HDAC3 O15379 2/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KCNN4 O15554 1/20 0.42
▸ APP P05067 1/20 0.42
▸ CHRNA1 P02708 1/20 0.41
▸ CHRNG P07510 1/20 0.41
▸ CHRNB1 P11230 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ CHRND Q07001 1/20 0.41
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 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
SCHEMBL25463746 0.84 KCNN4 (0.45) AKR1C3AKR1C2HDAC3HDAC1HDAC2
SCHEMBL13448610 0.79 MEN1 (0.49) HDAC3HDAC1HDAC2HDAC6KCNN4
SCHEMBL1627216 0.79 AKR1C3 (0.64) AKR1C3AKR1C2HDAC3HDAC1HDAC2
SCHEMBL25464167 0.79 NPC1 (0.43) AKR1C3AKR1C2HDAC3HDAC1HDAC2
SCHEMBL25460809 0.79 AKR1C3 (0.38) AKR1C3AKR1C2HDAC3HDAC1HDAC2
SCHEMBL7472692 0.79 CNR1 (0.51) AKR1C3AKR1C2HDAC3HDAC1HDAC2
SCHEMBL25460782 0.77 KCNN4 (0.50) HDAC3HDAC1HDAC2HDAC6KCNN4
SCHEMBL13363407 0.76 FFAR2 (0.50) FFAR2NPC1RAB9AKDM4E
SCHEMBL25460811 0.76 SLC6A3 (0.40) HDAC3KCNN4SLC6A3CES2CES1
SCHEMBL30443832 0.75 TSHR (0.44) HDAC3HDAC1HDAC2HDAC6LTB4R

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-20230151074-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. 2023-05-18 — — 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-20230151074-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS GIPR, GLP1R, GCGR AKR1C3 3106/4885AKR1C2 2812/4885HDAC3 1173/4885

“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.

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