SCHEMBL314573

SCHEMBL314573

CN1CCN(CCOC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
MAPT P10636 1/20 0.51
HRH2 P25021 1/20 0.51
HRH1 P35367 1/20 0.51
KCNJ1 P48048 3/20 0.50
KCNH2 Q12809 3/20 0.50
LTA4H P09960 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
KMT2A Q03164 1/20 0.49
HTR2A P28223 1/20 0.49
SIGMAR1 Q99720 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL5857294 0.93 HRH2 (0.57) ALDH1A1KDM4ETDP1MAPTHRH2
SCHEMBL16088361 0.89 KDM4E (0.67) ALDH1A1KDM4ETDP1MAPTHRH2
Hydrochloric Acid SCHEMBL16054922 0.88 KDM4E (0.66) ALDH1A1KDM4ETDP1MAPTHRH2
SCHEMBL17087197 0.86 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1MAPTKCNJ1
Hydrochloric Acid SCHEMBL7362832 0.85 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1MAPTKCNJ1
SCHEMBL315786 0.84 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1MAPTHRH2
SCHEMBL13778102 0.83 KCNA5 (0.50) ALDH1A1KDM4EHRH3RAB9A
SCHEMBL6285686 0.82 HRH2 (0.60) ALDH1A1KDM4ETDP1HRH2HRH1
Hydrochloric Acid SCHEMBL16107158 0.81 HRH3 (0.62) ALDH1A1KDM4ETDP1MAPTHRH2
SCHEMBL520019 0.81 LTA4H (0.72) ALDH1A1KDM4ETDP1MAPTHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234992-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-02-22 EP disclosed
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-8093248-B2 Compounds useful for the treatment of conditions associated with weight gain ASTRAZENECA AB (PUBL) (SE) 2012-01-10 US disclosed
US-8093248-B2 Compounds useful for the treatment of conditions associated with weight gain ASTRAZENECA AB (PUBL) (SE) 2012-01-10 US disclosed
CN-102026993-A New compounds III BIOVITRUM AB PUBL 2011-04-20 CN disclosed
CN-102015668-A Piperazine derivatives and their use as leptin receptor modulators ASTRAZENECA AB PUBL 2011-04-13 CN disclosed
EP-2240447-A2 MORPHOLINE DERIVATES AS ANTIOBESITY AGENTS AstraZeneca AB (Publ) (SE) 2010-10-20 EP disclosed
EP-2234992-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-10-06 EP disclosed
EP-2227461-A1 NEW COMPOUNDS III AstraZeneca AB (Publ) (SE) 2010-09-15 EP disclosed
US-20090281087-A1 Compounds II BIOVITRUM AB (SE) 2009-11-12 US disclosed
US-20090281087-A1 Compounds II BIOVITRUM AB (SE) 2009-11-12 US disclosed
US-20090281087-A1 Compounds II BIOVITRUM AB (SE) 2009-11-12 US disclosed
US-20090203695-A1 Compounds IV BIOVITRUM AB (SE) 2009-08-13 US disclosed
US-20090176798-A1 New compounds III BIOVITRUM AB (SE) 2009-07-09 US disclosed
WO-2009071678-A2 MORPHOLINE DERIVATIVES AS ANTIOBESITY AGENTS BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO disclosed
WO-2009071677-A1 NEW COMPOUNDS III BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO disclosed
WO-2009071677-A1 NEW COMPOUNDS III BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO disclosed
WO-2009071668-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO disclosed
WO-2009071668-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-06-11 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 (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-20090176798-A1 New compounds III GPR119, FABP4, GLP1R ALDH1A1 2912/4885KDM4E 3319/4885TDP1 4797/4885
US-20090281087-A1 Compounds II GPR119, FABP4, LIPC ALDH1A1 2717/4885KDM4E 3606/4885TDP1 4792/4885
US-20090203695-A1 Compounds IV GPR119, FABP4, LIPC ALDH1A1 2629/4885KDM4E 2572/4885TDP1 4816/4885

“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.