SCHEMBL4672018

SCHEMBL4672018

CC(C)(C)Nc1[c]cccc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
IDO1 P14902 1/20 0.34
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL10407764 0.79
SCHEMBL4767808 0.78 MEN1 (0.32)
SCHEMBL220757 0.73
SCHEMBL1206364 0.70 L3MBTL1 (0.53) NPC1RAB9A
SCHEMBL5851070 0.69
SCHEMBL10585144 0.69
SCHEMBL11580343 0.69
SCHEMBL5178129 0.69
SCHEMBL1411653 0.69
SCHEMBL6709739 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326696-B2 Amino-methyl substituted tetracycline compounds PARATEK PHARMACEUTICALS, INC. (US) 2008-02-05 US claimed
US-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators ASTRAZENECA AB (SE) 2007-05-17 US disclosed
CN-1302016-C Fulvene, metallocene catalysts and preparation method thereof, and preparation of polyolefines copolymer using the same LG CHEMICAL LTD (KR) 2007-02-28 CN disclosed
CN-1578792-A Methylene cyclopentadiene, metallocene catalyst, method for preparing the same, and method for preparing polyolefin copolymer using the same LG CHEMICAL LTD (KR) 2005-02-09 CN disclosed
US-5750552-A ANTIULCER AGENTS ARAX CO., LTD. (JP) 1998-05-12 US disclosed
EP-0736527-A1 Imadazoline derivative, possible tautomer thereof, process of manufacturing therefor, and vulnerary including such derivative or tautomer ARAX CO., LTD. (JP) 1996-10-09 EP 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-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators CCR5, CCR2, CCR6 ATM 3559/4885IDO1 1011/4885CCNE2 2480/4885

“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.