SCHEMBL314293

SCHEMBL314293

CN1CCC(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.60
MAPT P10636 11/20 0.60
ALDH1A1 P00352 8/20 0.60
HTT P42858 2/20 0.60
ALOX12 P18054 1/20 0.60
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 5/20 0.54
GFER P55789 1/20 0.53
AKR1C3 P42330 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 1/20 0.50

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
SCHEMBL29178276 0.88 MAPT (0.76) MAPTALDH1A1HTTALOX12LMNA
SCHEMBL3670266 0.85 MAPT (0.56) MAPTALDH1A1HTTALOX12LMNA
SCHEMBL30032873 0.83 ADRB1 (0.60) SIRT6MAPTALDH1A1HTTALOX12
SCHEMBL314521 0.83 MAPT (0.58) MAPTLMNASMN1; SMN2GFERAKR1C3
SCHEMBL14167741 0.80 MAPT (0.64) SIRT6MAPTALDH1A1HTTALOX12
SCHEMBL5466738 0.79 SIRT6 (0.79) SIRT6MAPTALDH1A1HTTLMNA
SCHEMBL3635114 0.78 MAPT (0.65) SIRT6MAPTALDH1A1HTTALOX12
SCHEMBL313838 0.78 MAPT (0.52) MAPTALDH1A1SMN1; SMN2GFERKMT2A
SCHEMBL447471 0.77 SIRT6 (1.00) SIRT6MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL2716593 0.77 ALDH1A1 (0.60) ALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234992-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-10-06 EP claimed
US-20090281087-A1 Compounds II BIOVITRUM AB (SE) 2009-11-12 US claimed
WO-2009071668-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO claimed
EP-2234992-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-02-22 EP disclosed
US-8093248-B2 Compounds useful for the treatment of conditions associated with weight gain ASTRAZENECA AB (PUBL) (SE) 2012-01-10 US disclosed
US-20090281087-A1 Compounds II BIOVITRUM AB (SE) 2009-11-12 US disclosed
US-20080085902-A1 Combination Of A Vegf Receptor Inhibitor Or With A Chemotherapeutic Agent BOLD GUIDO 2008-04-10 US disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands ASTRAZENECA AB (SE) 2008-03-13 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-20080085902-A1 Combination Of A Vegf Receptor Inhibitor Or With A Chemotherapeutic Agent VEGFA, FLT1, FLT4 SIRT6 2034/4885MAPT 2075/4885ALDH1A1 1014/4885
US-20080064706-A1 Piperidine Derivatives as Histamine H3 Receptor Ligands HRH3, HRH1, HRH4 SIRT6 1773/4885MAPT 2304/4885ALDH1A1 451/4885
US-20090281087-A1 Compounds II GPR119, FABP4, LIPC SIRT6 1267/4885MAPT 4470/4885ALDH1A1 2717/4885

“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.