SCHEMBL1183642

SCHEMBL1183642

O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.68
FAAH O00519 3/20 0.63
ALDH1A1 P00352 3/20 0.61
MAPT P10636 3/20 0.61
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ALOX15 P16050 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL3044836 0.93 MAPT (0.69) MGLLFAAHALDH1A1MAPTLMNA
SCHEMBL315785 0.87 MGLL (0.69) MGLLFAAHALDH1A1MAPTLMNA
SCHEMBL315992 0.87 ALDH1A1 (0.69) MGLLALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL27851988 0.84 MAPT (0.61) MGLLFAAHALDH1A1MAPTLMNA
SCHEMBL8844981 0.82 ALOX15 (0.72) MGLLFAAHALDH1A1MAPTLMNA
SCHEMBL26042174 0.82 CYP1A2 (0.69) MGLLFAAHALDH1A1MEN1KMT2A
SCHEMBL18424173 0.82 CYP1A2 (0.73) MGLLFAAHALDH1A1MEN1KMT2A
SCHEMBL12794615 0.81 MGLL (0.87) MGLLFAAHALDH1A1MAPTLMNA
SCHEMBL1734128 0.81 MGLL (0.63) MGLLFAAHALDH1A1
SCHEMBL3996605 0.81 MGLL (0.63) MGLLFAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102026975-A Piperazines as anti-obesity agents BIOVITRUM AB PUBL 2011-04-20 CN disclosed
US-20110059969-A1 PIPERAZINES AS ANTI-OBESITY AGENTS ASTRAZENECA AB (SE) 2011-03-10 US disclosed
US-20110059969-A1 PIPERAZINES AS ANTI-OBESITY AGENTS ASTRAZENECA AB (SE) 2011-03-10 US disclosed
US-20110059969-A1 PIPERAZINES AS ANTI-OBESITY AGENTS ASTRAZENECA AB (SE) 2011-03-10 US disclosed
US-20110046135-A1 NEW COMPOUNDS I ASTRAZENECA AB (PUBL) (SE) 2011-02-24 US disclosed
US-20110046135-A1 NEW COMPOUNDS I ASTRAZENECA AB (PUBL) (SE) 2011-02-24 US disclosed
US-20110046135-A1 NEW COMPOUNDS I ASTRAZENECA AB (PUBL) (SE) 2011-02-24 US disclosed
US-7851471-B2 Compounds I ASTRAZENECA AB (PUBL) (SE) 2010-12-14 US disclosed
US-7851471-B2 Compounds I ASTRAZENECA AB (PUBL) (SE) 2010-12-14 US disclosed
US-7851471-B2 Compounds I ASTRAZENECA AB (PUBL) (SE) 2010-12-14 US disclosed
EP-2229362-A1 PIPERAZINES AS ANTI-OBESITY AGENTS AstraZeneca AB (SE) 2010-09-22 EP disclosed
US-20090181967-A1 New compounds I BIOVITRUM AB (SE) 2009-07-16 US disclosed
US-20090181967-A1 New compounds I BIOVITRUM AB (SE) 2009-07-16 US disclosed
US-20090181967-A1 New compounds I BIOVITRUM AB (SE) 2009-07-16 US disclosed
WO-2009071658-A1 PIPERAZINES AS ANTI-OBESITY AGENTS BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO disclosed
WO-2009071658-A1 PIPERAZINES AS ANTI-OBESITY AGENTS 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-20090181967-A1 New compounds I GPR119, GLP1R, FABP4 MGLL 169/4885FAAH 1838/4885ALDH1A1 2089/4885
US-20110046135-A1 NEW COMPOUNDS I GPR119, GLP1R, FABP4 MGLL 169/4885FAAH 1838/4885ALDH1A1 2089/4885
US-20110059969-A1 PIPERAZINES AS ANTI-OBESITY AGENTS GPR119, FABP4, ADIPOR2 MGLL 143/4885FAAH 1885/4885ALDH1A1 1389/4885

“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.