SCHEMBL23501941

SCHEMBL23501941

CC(C)n1cc(CNC2CC2)c(C(F)F)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.33
HDAC8 Q9BY41 2/20 0.32
KCNH2 Q12809 3/20 0.31
BACE1 P56817 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
PABPC1 P11940 1/20 0.30
OPRL1 P41146 2/20 0.30
HDAC3 O15379 1/20 0.30
CDK2 P24941 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL28504966 0.82 MITF (0.38) HDAC8KDM4EALDH1A1IRAK4PABPC1
SCHEMBL15723756 0.79 GRM1 (0.39) HRH3HDAC8IRAK4
SCHEMBL19531851 0.64 ACHE (0.33)
SCHEMBL18068011 0.64 ACHE (0.33)
SCHEMBL15730220 0.62 GRM1 (0.41) HDAC8KDM4EALDH1A1IRAK4PABPC1
SCHEMBL30818072 0.62 MEN1 (0.33) HRH3BACE1OPRL1MEN1KMT2A
SCHEMBL22849816 0.61 CDK2 (0.37) KDM4ECDK2
SCHEMBL24079736 0.61 HRH3 (0.45) HRH3KCNH2KDM4EALDH1A1OPRL1
SCHEMBL17066891 0.60 GRM1 (0.46) HDAC8IRAK4HDAC3CDK2HDAC4
SCHEMBL22787425 0.60 OPRL1 (0.38) HRH3KCNH2BACE1ALDH1A1IRAK4

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-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 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-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN HRH3 1680/4885HDAC8 1954/4885KCNH2 2726/4885

“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.