SCHEMBL3958403

SCHEMBL3958403

Nc1ccccc1N1CCN(C(=O)O)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.58
KEAP1 Q14145 1/20 0.56
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.50
USP2 O75604 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
RBP4 P02753 1/20 0.46
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.43
NCF1 P14598 1/20 0.43
AKR1C3 P42330 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 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
SCHEMBL29664576 1.00 ADRA2C (0.58) ADRA2CKEAP1MEN1KMT2AGAA
SCHEMBL2966469 0.85 KDM4E (0.68) MEN1KMT2AUSP2KDM4EALOX15
SCHEMBL12890006 0.84 ADRA2C (0.61) ADRA2CKEAP1MEN1KMT2AGAA
SCHEMBL23152040 0.82 ADRA2C (0.79) ADRA2CKEAP1MEN1KMT2AGAA
SCHEMBL11775877 0.82 ADRA2C (0.79) ADRA2CKEAP1MEN1KMT2AGAA
SCHEMBL5761335 0.80 ADRA2C (0.51) ADRA2CKEAP1MEN1KMT2AGAA
SCHEMBL28867453 0.80 ADRA2C (0.56) ADRA2CKEAP1MEN1KMT2AGAA
SCHEMBL23368541 0.80 ADRA2C (0.56) ADRA2CKEAP1MEN1KMT2AGAA
SCHEMBL11087705 0.80 KDM4E (0.49) MEN1KMT2AGAAUSP2KDM4E
SCHEMBL1491206 0.80 KMT2A (0.64) MEN1KMT2AGAAALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN disclosed
WO-2015107057-A1 SYNTHESIS OF VORTIOXETINE VIA (2-(PIPERAZINE-1 -YL)PHENYL)ANILINE INTERMEDIATES LEK PHARMACEUTICALS D.D. (SI) 2015-07-23 WO disclosed
EP-2078003-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-07-15 EP disclosed
EP-2078002-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2009-07-15 EP disclosed
EP-2078004-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2009-07-15 EP disclosed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP disclosed
WO-2008054749-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-05-08 WO disclosed
WO-2008054702-A1 ANILINOPIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-08 WO disclosed
WO-2008054701-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-05-08 WO disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R ADRA2C 61/4885KEAP1 440/4885MEN1 1339/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R ADRA2C 61/4885KEAP1 440/4885MEN1 1339/4885

“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.