SCHEMBL313620

SCHEMBL313620

CN1CCC(COC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
HTR2A P28223 1/20 0.48
MAPT P10636 2/20 0.45
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACHE P22303 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
Hydrochloric Acid SCHEMBL16694512 0.99 SIGMAR1 (0.50) SIGMAR1HTR2AMAPTBCL9CTNNB1
Hydrochloric Acid SCHEMBL16694544 0.93 HTR2A (0.46) SIGMAR1HTR2AMAPTBCL9CTNNB1
SCHEMBL6816689 0.88 SIGMAR1 (0.52) SIGMAR1HTR2ABCL9CTNNB1CYP1A2
SCHEMBL314875 0.87 SIGMAR1 (0.51) SIGMAR1HTR2AMAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL16694856 0.86 ALDH1A1 (0.47) SIGMAR1HTR2ABCL9CTNNB1CYP1A2
SCHEMBL5017678 0.86 HTR2A (0.50) SIGMAR1HTR2AMAPTBCL9CTNNB1
SCHEMBL29550444 0.86 HTR2A (0.50) SIGMAR1HTR2AMAPTBCL9CTNNB1
SCHEMBL6397367 0.85 HTR2A (0.49) SIGMAR1HTR2AMAPTBCL9CTNNB1
SCHEMBL313831 0.83 ALDH1A1 (0.55) SIGMAR1MAPTCYP1A2CYP2D6ALDH1A1
SCHEMBL25184955 0.82 HTR2A (0.47) SIGMAR1HTR2ABCL9CTNNB1CYP1A2

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
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
EP-2227461-A1 NEW COMPOUNDS III AstraZeneca AB (Publ) (SE) 2010-09-15 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
US-20090176798-A1 New compounds III BIOVITRUM AB (SE) 2009-07-09 US disclosed
US-20090176798-A1 New compounds III BIOVITRUM AB (SE) 2009-07-09 US disclosed
US-20090176798-A1 New compounds III BIOVITRUM AB (SE) 2009-07-09 US 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 SIGMAR1 1925/4885HTR2A 817/4885MAPT 4568/4885
US-20110275670-A1 New Compounds VII GPR119, GLP1R, GIPR SIGMAR1 1999/4885HTR2A 645/4885MAPT 4553/4885
US-20090281087-A1 Compounds II GPR119, FABP4, LIPC SIGMAR1 2023/4885HTR2A 785/4885MAPT 4470/4885

“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.