SCHEMBL2262829

SCHEMBL2262829

CC(C)(C)OC(=O)N(CCN)Cc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.47
CARM1 Q86X55 1/20 0.44
PRMT1 Q99873 1/20 0.44
AOC3 Q16853 4/20 0.44
ROCK1 Q13464 1/20 0.42
HDAC1 Q13547 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CTSL P07711 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.40
PNMT P11086 1/20 0.40

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
SCHEMBL2259970 0.87 HDAC1 (0.44) HDAC1TAAR1HDAC3HDAC2NCOR2
SCHEMBL16468452 0.85 AOC3 (0.44) RIPK1AOC3HDAC1TAAR1CTSL
SCHEMBL2258715 0.84 HDAC3 (0.43) CARM1PRMT1HDAC1HDAC3HDAC2
SCHEMBL1231760 0.84 HDAC3 (0.53) CARM1HDAC1CTSLRECQLHDAC3
SCHEMBL2260867 0.84 CARM1 (0.42) CARM1PRMT1HDAC1TAAR1TSHR
SCHEMBL2535059 0.83 TAAR1 (0.44) RIPK1AOC3HDAC1TAAR1HDAC3
SCHEMBL2257957 0.83 TAAR1 (0.46) TAAR1
SCHEMBL21987970 0.82 RIPK1 (0.51) RIPK1AOC3CTSLTSHRRECQL
SCHEMBL19208209 0.81 TSHR (0.48) RIPK1HDAC1CTSLTSHRRECQL
SCHEMBL2263360 0.80 IDO1 (0.42) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994326-B2 For treatment of various forms of neurodegeneration, including that from stroke, Alzheimer's disease, Parkinson's disease, and Huntington's disease NORTHWESTERN UNIVERSITY (US) 2011-08-09 US disclosed
US-7994326-B2 For treatment of various forms of neurodegeneration, including that from stroke, Alzheimer's disease, Parkinson's disease, and Huntington's disease NORTHWESTERN UNIVERSITY (US) 2011-08-09 US disclosed
US-7994326-B2 For treatment of various forms of neurodegeneration, including that from stroke, Alzheimer's disease, Parkinson's disease, and Huntington's disease NORTHWESTERN UNIVERSITY (US) 2011-08-09 US disclosed
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-08 US disclosed
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-08 US disclosed
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-08 US disclosed
WO-2008042353-A1 POTENT AND HIGHLY SELECTIVE HETEROAROMATIC INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE NORTHWESTERN UNIVERSITY (US) 2008-04-10 WO 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-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NOS1, NOS2, NOS3 RIPK1 2910/4885CARM1 859/4885PRMT1 131/4885

“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.