SCHEMBL18212447

SCHEMBL18212447

CC(C)C(=O)N1CC(c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.49
▸ KCNH2 Q12809 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ USP30 Q70CQ3 2/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ CHRNB3 Q05901 1/20 0.46
▸ CHRNA6 Q15825 1/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ SCD5 Q86SK9 2/20 0.44
▸ SCD O00767 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ ATM Q13315 1/20 0.43

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
SCHEMBL16886312 0.87 RAB9A (0.58) KCNH2HRH3NAMPTNPC1RAB9A
SCHEMBL12413775 0.85 ALDH1A1 (0.56) KCNH2HRH3NPC1RAB9ASMN1; SMN2
SCHEMBL13588778 0.83 KCNH2 (0.64) KCNH2HRH3NAMPTNPC1RAB9A
SCHEMBL18205180 0.82 NPC1 (0.43) KCNH2HRH3USP30NPC1RAB9A
SCHEMBL16219016 0.81 CYP11B2 (0.49) NAMPTCHRNB2CHRNA3CHRNA4ALDH1A1
SCHEMBL28670698 0.80 ALDH1A1 (0.42) KCNH2HRH3USP30NPC1RAB9A
SCHEMBL28670700 0.80 ALDH1A1 (0.42) KCNH2HRH3USP30NPC1RAB9A
SCHEMBL1790866 0.79 POLB (0.52) USP30NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31703460 0.79 RAB9A (0.51) USP30NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL18215181 0.76 ELANE (0.50) ATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 — — US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 — — US disclosed
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-10 — — 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-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT RIPK1 4224/4885KCNH2 4102/4885HRH3 1432/4885
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 RIPK1 3610/4885KCNH2 4118/4885HRH3 526/4885

“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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