SCHEMBL2261184

SCHEMBL2261184

CCOC(=O)CNCCc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
LTA4H P09960 4/20 0.49
CYP2D6 P10635 5/20 0.46
HTR2A P28223 1/20 0.46
KCNH2 Q12809 2/20 0.46

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
SCHEMBL7415640 0.83 LTA4H (0.63) MEN1KMT2ALTA4HCYP2D6
SCHEMBL7148179 0.83 TAAR1 (0.50) MEN1KMT2ATAAR1KCNH2
Hydrochloric Acid SCHEMBL27717592 0.81 LTA4H (0.61) MEN1KMT2ALTA4H
SCHEMBL901475 0.81 CYP4F2 (0.55) TAAR1
SCHEMBL27087783 0.81 HDAC3 (0.56) MEN1KMT2ATAAR1
SCHEMBL27598565 0.80 TAAR1 (0.56) MEN1KMT2ATAAR1
SCHEMBL11066194 0.80 NPC1 (0.46) MEN1KMT2ATAAR1
SCHEMBL642197 0.79 ALOX5 (0.54) TAAR1CYP2D6
SCHEMBL9446021 0.79 LTA4H (0.45) KMT2ALTA4HCYP2D6KCNH2
SCHEMBL5939725 0.78 SCN8A (0.52) MEN1KMT2ALTA4HHTR2A

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 MEN1 3883/4885KMT2A 2149/4885TAAR1 1066/4885

“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.