SCHEMBL315992

SCHEMBL315992

Cc1ccc(N2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
MAPT P10636 7/20 0.69
LMNA P02545 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
POLB P06746 1/20 0.63
HTT P42858 2/20 0.56
MGLL Q99685 1/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TP53 P04637 1/20 0.55
AKR1C3 P42330 1/20 0.54
CYP2D6 P10635 1/20 0.54

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 0.94 MAPT (0.69) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL315785 0.88 MGLL (0.69) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL1183642 0.87 MGLL (0.68) ALDH1A1MAPTLMNASMN1; SMN2MGLL
SCHEMBL27851988 0.84 MAPT (0.61) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL12240580 0.82 SIRT6 (0.74) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL9279984 0.82 KMT2A (0.73) ALDH1A1MAPTLMNASMN1; SMN2MGLL
SCHEMBL3893386 0.81 MAPT (0.62) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL1734128 0.81 MGLL (0.63) ALDH1A1MGLLCYP1A2CYP2D6
SCHEMBL2105411 0.81 MAPT (0.75) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL3996605 0.81 MGLL (0.63) ALDH1A1MGLLCYP1A2CYP2D6

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
US-8093248-B2 Compounds useful for the treatment of conditions associated with weight gain ASTRAZENECA AB (PUBL) (SE) 2012-01-10 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-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-2234992-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-10-06 EP disclosed
EP-2229362-A1 PIPERAZINES AS ANTI-OBESITY AGENTS AstraZeneca AB (SE) 2010-09-22 EP disclosed
US-20090281087-A1 Compounds II BIOVITRUM AB (SE) 2009-11-12 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
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
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 (4 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 2089/4885MAPT 4536/4885LMNA 1076/4885
US-20110046135-A1 NEW COMPOUNDS I GPR119, GLP1R, FABP4 ALDH1A1 2089/4885MAPT 4536/4885LMNA 1076/4885
US-20110059969-A1 PIPERAZINES AS ANTI-OBESITY AGENTS GPR119, FABP4, ADIPOR2 ALDH1A1 1389/4885MAPT 4640/4885LMNA 1785/4885
US-20090281087-A1 Compounds II GPR119, FABP4, LIPC ALDH1A1 2717/4885MAPT 4470/4885LMNA 754/4885

“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.