SCHEMBL16942770

SCHEMBL16942770

Nc1ccc2ccc(CCNCCCc3cccc(Cl)c3)cc2n1

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 9/20 0.90
▸ NOS3 P29474 2/20 0.90

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
SCHEMBL16947751 0.95 NOS1 (1.00) NOS1NOS3
Hydrochloric Acid SCHEMBL16930404 0.94 NOS1 (1.00) NOS1NOS3
SCHEMBL17721459 0.85 NOS1 (0.90) NOS1NOS3
SCHEMBL17661385 0.83 NOS1 (0.78) NOS1NOS3
Hydrochloric Acid SCHEMBL16930412 0.82 NOS1 (0.78) NOS1NOS3
SCHEMBL18327775 0.82 NOS1 (0.75) NOS1NOS3
SCHEMBL16947754 0.80 NOS1 (1.00) NOS1NOS3
SCHEMBL16947756 0.79 NOS1 (0.71) NOS1NOS3
Hydrochloric Acid SCHEMBL16930408 0.79 NOS1 (1.00) NOS1NOS3
SCHEMBL16947764 0.77 NOS1 (0.76) NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783500-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2017-10-10 — — US disclosed
US-9783500-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2017-10-10 — — US disclosed
US-9663468-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2017-05-30 — — US disclosed
US-9663468-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2017-05-30 — — US disclosed
US-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 — — US disclosed
US-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 — — US disclosed
US-20160096806-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-07 — — US disclosed
US-20160096806-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-07 — — US disclosed
US-9212144-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2015-12-15 — — US disclosed
US-9212144-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2015-12-15 — — US disclosed
US-20150210644-A1 2-AMINOQUINOLINE-BASED COMPOUNDS FOR POTENT AND SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITION NORTHWESTERN UNIVERSITY 2015-07-30 — — US disclosed
US-20150210644-A1 2-AMINOQUINOLINE-BASED COMPOUNDS FOR POTENT AND SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITION NORTHWESTERN UNIVERSITY 2015-07-30 — — 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 (3 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-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NOS2, NOS3, NOS1 NOS1 3/4885NOS3 2/4885
US-20150210644-A1 2-AMINOQUINOLINE-BASED COMPOUNDS FOR POTENT AND SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITION NOS2, NOS3, NOS1 NOS1 3/4885NOS3 2/4885
US-20160096806-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NOS2, NOS3, NOS1 NOS1 3/4885NOS3 2/4885

“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.

Send feedback