SCHEMBL314875

SCHEMBL314875

COCCN1CCC(COC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 3/20 0.45
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
LTA4H P09960 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
HTR2A P28223 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
GALR3 O60755 1/20 0.42

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
SCHEMBL313620 0.87 SIGMAR1 (0.51) SIGMAR1KDM4EALDH1A1MAPTHTR2A
Hydrochloric Acid SCHEMBL16694512 0.85 SIGMAR1 (0.50) SIGMAR1KDM4EALDH1A1MAPTHTR2A
Hydrochloric Acid SCHEMBL16694544 0.84 HTR2A (0.46) SIGMAR1KDM4EALDH1A1MAPTKCNJ1
SCHEMBL6816689 0.83 SIGMAR1 (0.52) SIGMAR1HTR2ASMN1; SMN2
SCHEMBL3459279 0.81 ACHE (0.62) SIGMAR1
Hydrochloric Acid SCHEMBL16694856 0.81 ALDH1A1 (0.47) SIGMAR1KDM4EALDH1A1TDP1HTR2A
SCHEMBL5017678 0.80 HTR2A (0.50) SIGMAR1ALDH1A1MAPTHTR2ASMN1; SMN2
SCHEMBL29550444 0.80 HTR2A (0.50) SIGMAR1ALDH1A1MAPTHTR2ASMN1; SMN2
SCHEMBL6397367 0.79 HTR2A (0.49) SIGMAR1ALDH1A1MAPTHTR2ASMN1; SMN2
SCHEMBL314573 0.78 ALDH1A1 (0.53) SIGMAR1KDM4EALDH1A1TDP1MAPT

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 14 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
US-20110275670-A1 New Compounds VII BIOVITRUM AB (SE) 2011-11-10 US disclosed
EP-2321276-A1 NEW COMPOUNDS VII AstraZeneca AB (SE) 2011-05-18 EP disclosed
EP-2234992-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-10-06 EP disclosed
WO-2009147219-A1 NEW COMPOUNDS VII BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO 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
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 (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-20110275670-A1 New Compounds VII GPR119, GLP1R, GIPR SIGMAR1 1999/4885KDM4E 2394/4885ALDH1A1 2629/4885
US-20090281087-A1 Compounds II GPR119, FABP4, LIPC SIGMAR1 2023/4885KDM4E 3606/4885ALDH1A1 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.