SCHEMBL6632417

SCHEMBL6632417

NCC(=O)N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
CYP2C19 P33261 1/20 0.62
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
L3MBTL1 Q9Y468 2/20 0.56
SIGMAR1 Q99720 1/20 0.56
DPP4 P27487 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
GRIN2B Q13224 2/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49
GRM5 P41594 1/20 0.49

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
SCHEMBL4814264 0.89 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL7393652 0.89 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL379160 0.89 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL3970912 0.89 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
Bicarbonate SCHEMBL4357688 0.87 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL15011579 0.87 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL15447435 0.86 MEN1 (0.64) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL31596932 0.86 SIGMAR1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL17084538 0.85 MEN1 (0.63) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL15709327 0.85 L3MBTL1 (0.63) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906543-B1 ACYLPIPERAZINES AS INHIBITORS OF TRANSGLUTAMINASE AND THEIR USE IN MEDICINE UNIV ASTON (GB) 2019-01-02 EP disclosed
EP-2906543-B1 ACYLPIPERAZINES AS INHIBITORS OF TRANSGLUTAMINASE AND THEIR USE IN MEDICINE UNIV ASTON (GB) 2019-01-02 EP disclosed
US-10017516-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-07-10 US disclosed
US-10017516-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-07-10 US disclosed
US-10017516-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-07-10 US disclosed
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2017-11-23 US disclosed
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2017-11-23 US disclosed
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2017-11-23 US disclosed
US-9682983-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-06-20 US disclosed
US-9682983-B2 BMP inhibitors and methods of use thereof THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-06-20 US disclosed
US-20150259310-A1 Acylpiperazines as Inhibitors of Transglutaminase and Their Use in Medicine ASTON UNIVERSITY (GB) 2015-09-17 US disclosed
US-20150259310-A1 Acylpiperazines as Inhibitors of Transglutaminase and Their Use in Medicine ASTON UNIVERSITY (GB) 2015-09-17 US disclosed
US-20150259310-A1 Acylpiperazines as Inhibitors of Transglutaminase and Their Use in Medicine ASTON UNIVERSITY (GB) 2015-09-17 US disclosed
EP-2906543-A1 ACYLPIPERAZINES AS INHIBITORS OF TRANSGLUTAMINASE AND THEIR USE IN MEDICINE Aston University (GB) 2015-08-19 EP disclosed
WO-2014160203-A2 BMP INHIBITORS AND METHODS OF USE THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2014-10-02 WO disclosed
WO-2014160203-A2 BMP INHIBITORS AND METHODS OF USE THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2014-10-02 WO disclosed
WO-2014057266-A1 ACYLPIPERAZINES AS INHIBITORS OF TRANSGLUTAMINASE AND THEIR USE IN MEDICINE ASTON UNIVERSITY (GB) 2014-04-17 WO disclosed
WO-2014057266-A1 ACYLPIPERAZINES AS INHIBITORS OF TRANSGLUTAMINASE AND THEIR USE IN MEDICINE ASTON UNIVERSITY (GB) 2014-04-17 WO disclosed
EP-1446665-A2 ISOTOPICALLY CODED AFFINITY MARKERS 3 Bayer HealthCare AG (DE) 2004-08-18 EP disclosed
WO-2003040288-A2 ISOTOPICALLY CODED AFFINITY MARKERS 3 BAYER HEALTHCARE AG (DE) 2003-05-15 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-20150259310-A1 Acylpiperazines as Inhibitors of Transglutaminase and Their Use in Medicine ENPEP, ENPP2, MMP17 MEN1 1690/4885KMT2A 1957/4885NPSR1 3162/4885
US-20170334918-A1 BMP Inhibitors and Methods of Use Thereof BMP1, BMPR2, BMP2 MEN1 514/4885KMT2A 3607/4885NPSR1 3174/4885
US-10017516-B2 BMP inhibitors and methods of use thereof BMP1, BMPR2, BMP2 MEN1 514/4885KMT2A 3607/4885NPSR1 3174/4885

“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.