SCHEMBL19821647

SCHEMBL19821647

CC(C)CCn1cc(CC(C)(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.38
KDM5B Q9UGL1 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ACHE P22303 2/20 0.35
SYK P43405 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31

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
SCHEMBL18924370 0.83 ACHE (0.50) NAMPTKDM5BPRMT5WDR77ACHE
SCHEMBL10264426 0.81 NAMPT (0.40) NAMPTKDM5BPRMT5WDR77ACHE
SCHEMBL24973097 0.81 NAMPT (0.40) NAMPTKDM5BPRMT5WDR77ACHE
SCHEMBL12776229 0.81 L3MBTL1 (0.50) NAMPTKDM5BPRMT5WDR77L3MBTL1
SCHEMBL16805456 0.81 NAMPT (0.40) NAMPTKDM5BPRMT5WDR77ACHE
SCHEMBL26748196 0.78 L3MBTL1 (0.33) L3MBTL1
SCHEMBL15978917 0.77 PDK2 (0.35) L3MBTL1CTSDBACE1
SCHEMBL12092593 0.77 MAPT (0.37) ACHEL3MBTL1
SCHEMBL19934576 0.77 NAMPT (0.40) NAMPTKDM5BPRMT5WDR77SYK
SCHEMBL22792602 0.77 CYP2D6 (0.37) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189826-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2019-01-29 US disclosed
US-10183015-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2019-01-22 US disclosed
US-20180051013-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-22 US disclosed
US-20180028518-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-01 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 (4 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-20180028518-A1 Heterocyclic Compounds and Methods of Use LIPC, CPT1A, FABP1 NAMPT 393/4885KDM5B 2235/4885PRMT5 1662/4885
US-10189826-B2 Heterocyclic compounds and methods of use HRAS, VHL, ESRRB NAMPT 596/4885KDM5B 3399/4885PRMT5 1971/4885
US-10183015-B2 Heterocyclic compounds and methods of use LIPC, CPT1A, FABP1 NAMPT 393/4885KDM5B 2235/4885PRMT5 1662/4885
US-20180051013-A1 Heterocyclic Compounds and Methods of Use HRAS, VHL, ESRRB NAMPT 596/4885KDM5B 3399/4885PRMT5 1971/4885

“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.