SCHEMBL447289

SCHEMBL447289

CN1CCC(N2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
SIRT6 Q8N6T7 1/20 0.40
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 8/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 3/20 0.37
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37

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
Ammonia Solution, Strong SCHEMBL27565576 0.99 ACHE (0.41) ACHESIRT6HIF1AL3MBTL1PKM
SCHEMBL429286 0.81 HTR1A (0.48) ACHESIRT6HIF1APKMALDH1A1
SCHEMBL428109 0.80 CHRM2 (0.40) ALDH1A1
SCHEMBL4102749 0.80 ACHE (0.47) ACHESIRT6HIF1AL3MBTL1PKM
SCHEMBL3156433 0.77 SIRT6 (0.44) SIRT6HIF1AL3MBTL1LMNAALDH1A1
SCHEMBL5477312 0.77 LMNA (0.48) L3MBTL1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL6240237 0.76 ACHE (0.43) ACHESIRT6HIF1AL3MBTL1PKM
SCHEMBL28931189 0.76 MAPT (0.43) L3MBTL1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL4900075 0.76 HTR2C (0.47) L3MBTL1SMN1; SMN2
SCHEMBL3357679 0.75 DPP4 (0.50) ACHESIRT6HIF1ALMNAALDH1A1

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
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-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 US disclosed
EP-2311808-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP disclosed
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US 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
WO-2004005279-A2 SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-15 WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 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 (8 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC ACHE 2030/4885SIRT6 783/4885HIF1A 267/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO ACHE 2254/4885SIRT6 549/4885HIF1A 172/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ACHE 2145/4885SIRT6 449/4885HIF1A 147/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ACHE 3069/4885SIRT6 416/4885HIF1A 130/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ACHE 1415/4885SIRT6 464/4885HIF1A 214/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR ACHE 3069/4885SIRT6 416/4885HIF1A 130/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 ACHE 1415/4885SIRT6 464/4885HIF1A 214/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO ACHE 2145/4885SIRT6 449/4885HIF1A 147/4885

“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.