SCHEMBL1184197

SCHEMBL1184197

Cc1ccc(C2CNCCN2C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CHRNA7 P36544 1/20 0.42
▸ FAAH O00519 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MGLL Q99685 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL30165832 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EPKMMAPTTDP1
SCHEMBL7230204 0.81 ADRB1 (0.44) ALDH1A1CYP2D6KDM4EPKMMAPT
SCHEMBL7258863 0.78 ADRB1 (0.44) ALDH1A1KDM4EMAPTTDP1
SCHEMBL14461955 0.77 KMT2A (0.44) ALDH1A1PKMMAPT
SCHEMBL25255721 0.77 CYP1A2 (0.46) CYP1A2CYP2D6FAAHMGLLPKM
SCHEMBL29068350 0.76 CYP1A2 (0.57) ALDH1A1CYP1A2CYP2D6FAAHMGLL
SCHEMBL28408131 0.75 ADRB1 (0.43) ALDH1A1KDM4EMAPTTDP1
SCHEMBL16261916 0.74 DPP4 (0.41) KDM4EMAPT
SCHEMBL8498489 0.72 DPP4 (0.41) CYP2D6
SCHEMBL1333584 0.72 CYP1A2 (0.61) ALDH1A1CYP1A2CYP2D6FAAHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 ALDH1A1 2089/4885CYP1A2 1922/4885CYP2D6 3403/4885
US-20110046135-A1 NEW COMPOUNDS I GPR119, GLP1R, FABP4 ALDH1A1 2089/4885CYP1A2 1922/4885CYP2D6 3403/4885
US-20110059969-A1 PIPERAZINES AS ANTI-OBESITY AGENTS GPR119, FABP4, ADIPOR2 ALDH1A1 1389/4885CYP1A2 1352/4885CYP2D6 3779/4885

“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.

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