SCHEMBL13152841

SCHEMBL13152841

CC(C)(C)CCC1CCN(C(=O)c2cccnc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.62
▸ GAA P10253 1/20 0.59
▸ NAMPT P43490 3/20 0.57
▸ EPHX1 P07099 2/20 0.55
▸ EPHX2 P34913 2/20 0.55
▸ MAPK1 P28482 1/20 0.53
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CHRNB2 P17787 1/20 0.51
▸ CHRNB4 P30926 1/20 0.51
▸ CHRNA3 P32297 1/20 0.51
▸ CHRNA7 P36544 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ PKM P14618 1/20 0.50
▸ FABP6 P51161 1/20 0.50
▸ POLB P06746 1/20 0.49

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
SCHEMBL14593578 0.95 ALDH1A1 (0.64) ALDH1A1GAANAMPTEPHX1EPHX2
SCHEMBL7848005 0.90 ALDH1A1 (0.61) ALDH1A1GAANAMPTEPHX1EPHX2
SCHEMBL8373052 0.87 ALDH1A1 (0.65) ALDH1A1GAANAMPTEPHX1EPHX2
SCHEMBL13181135 0.85 NAMPT (0.62) ALDH1A1GAANAMPTEPHX1EPHX2
SCHEMBL12424623 0.84 GAA (0.67) ALDH1A1GAANAMPTEPHX1EPHX2
SCHEMBL13152826 0.84 ACHE (0.60) NAMPTEPHX1EPHX2
SCHEMBL23094436 0.83 ALDH1A1 (0.62) ALDH1A1GAANAMPTEPHX1EPHX2
SCHEMBL13716052 0.82 ALDH1A1 (0.60) ALDH1A1GAANAMPTEPHX1EPHX2
SCHEMBL12384398 0.82 GAA (0.60) ALDH1A1GAAMAPK1CHRNB2CHRNB4
SCHEMBL18026640 0.81 ALDH1A1 (0.61) ALDH1A1MAPK1TDP1PKMFABP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 — — US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 — — US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 — — US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 — — US disclosed
US-7164024-B2 Muscarinic acetylcholine receptor antagonist; Parkinson's disease; dystonia; analgesics; irritable bowel syndrome BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-16 — — 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 ALDH1A1 617/4885GAA 272/4885NAMPT 2385/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 ALDH1A1 2036/4885GAA 2009/4885NAMPT 1064/4885

“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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