SCHEMBL3436153

SCHEMBL3436153

NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.68
POLB P06746 3/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
ALDH1A1 P00352 4/20 0.61
NPC1 O15118 1/20 0.61
TDP1 Q9NUW8 1/20 0.53
HTT P42858 3/20 0.51
KMT2A Q03164 1/20 0.51
CTPS1 P17812 1/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.50
GRM5 P41594 1/20 0.50
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL29788336 0.87 TDP1 (0.69) MAPTPOLBL3MBTL1CYP1A2CYP3A4
SCHEMBL2042488 0.87 TDP1 (0.69) MAPTPOLBL3MBTL1CYP1A2CYP3A4
SCHEMBL3436179 0.82 KMT2A (0.56) MAPTPOLBL3MBTL1ALDH1A1TDP1
SCHEMBL30784064 0.82 MAPT (0.60) MAPTPOLBL3MBTL1ALDH1A1TDP1
SCHEMBL11507421 0.82 HTT (0.56) MAPTPOLBL3MBTL1ALDH1A1TDP1
SCHEMBL2559524 0.82 NOTUM (0.65) MAPTPOLBL3MBTL1CYP2C9CYP2C19
SCHEMBL3435633 0.81 POLB (0.62) MAPTPOLBL3MBTL1CYP1A2CYP3A4
SCHEMBL23536206 0.80 ALDH1A1 (0.56) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29931977 0.80 ALDH1A1 (0.56) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2078717 0.80 MAPT (0.61) MAPTPOLBL3MBTL1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078003-B1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2017-03-08 EP disclosed
US-9206142-B2 Anilinopiperazine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-9206142-B2 Anilinopiperazine derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2015-12-08 US disclosed
US-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2012-12-27 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
WO-2008054702-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-08 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-20120328691-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF MAPK15, CDK15, MAPKAPK5 MAPT 699/4885POLB 2161/4885L3MBTL1 4682/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 MAPT 1330/4885POLB 4512/4885L3MBTL1 3267/4885

“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.