SCHEMBL4272566

SCHEMBL4272566

Cc1cc(CCC2CCCN2C)nc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 5/20 0.53
▸ NOS3 P29474 3/20 0.49
▸ NOS2 P35228 3/20 0.49
▸ KCNH2 Q12809 1/20 0.41
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CHRNB2 P17787 3/20 0.39
▸ CHRNA4 P43681 3/20 0.39
▸ CHRNB4 P30926 3/20 0.39
▸ CHRNA3 P32297 3/20 0.39
▸ CHRNB1 P11230 2/20 0.39
▸ CHRNB3 Q05901 2/20 0.39
▸ EHMT2 Q96KQ7 1/20 0.38
▸ SLC6A4 P31645 1/20 0.37
▸ ACP1 P24666 1/20 0.36

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
SCHEMBL24467086 0.73 NOS1 (0.45) NOS1NOS3NOS2KCNH2CHRNB2
SCHEMBL30062810 0.69 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL28928463 0.69 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL30054898 0.69 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL28928467 0.69 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL30063512 0.69 NOS1 (1.00) NOS1NOS3NOS2
SCHEMBL8364061 0.67 NOS2 (0.55) NOS1NOS3NOS2CRHBPCRHR2
SCHEMBL12005458 0.67 SLC6A4 (0.46) NOS1NOS3NOS2CHRNB2CHRNA4
SCHEMBL12501253 0.66 NMT1 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNB1
SCHEMBL11595985 0.65 NOS2 (0.58) NOS1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153960-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2005-07-14 — — US claimed
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 — — EP disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 — — US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 — — US disclosed
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 — — EP disclosed
EP-1773817-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2007-04-18 — — EP disclosed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 — — WO disclosed
EP-1583744-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-10-12 — — EP disclosed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 — — EP disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 — — EP disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 — — WO disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 — — WO disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 — — 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 (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-20050153960-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NOS1 465/4885NOS3 267/4885NOS2 225/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 NOS1 35/4885NOS3 33/4885NOS2 15/4885

“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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