SCHEMBL4286978

SCHEMBL4286978

C=Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
F13A1 P00488 3/20 0.45
TGM2 P21980 3/20 0.45
TGM1 P22735 3/20 0.45
GPR119 Q8TDV5 2/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
KIT P10721 2/20 0.44
TGM3 Q08188 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
ALK Q9UM73 2/20 0.43
TSHR P16473 1/20 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
SCHEMBL22322349 0.91 MEN1 (0.54) MEN1KMT2ANR1H2NR1H3GPR119
SCHEMBL2365638 0.87 RET (0.47) MEN1KMT2ANR1H2NR1H3F13A1
SCHEMBL2366192 0.85 MEN1 (0.55) MEN1KMT2ANR1H2NR1H3GPR119
SCHEMBL31533231 0.85 KIT (0.45) MEN1KMT2ANR1H2NR1H3F13A1
SCHEMBL2366069 0.84 MEN1 (0.57) MEN1KMT2ANR1H2NR1H3GPR119
SCHEMBL899444 0.84 MEN1 (0.54) MEN1KMT2ANR1H2NR1H3GPR119
SCHEMBL30223144 0.84 MEN1 (0.54) MEN1KMT2ANR1H2NR1H3GPR119
SCHEMBL24971004 0.83 MEN1 (0.53) MEN1KMT2ANR1H2NR1H3GPR119
SCHEMBL3171182 0.83 MEN1 (0.53) MEN1KMT2ANR1H2NR1H3GPR119
SCHEMBL30903374 0.83 MEN1 (0.53) MEN1KMT2ANR1H2NR1H3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10584110-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2020-03-10 US disclosed
US-20180208575-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2018-07-26 US disclosed
US-20180208575-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2018-07-26 US disclosed
US-9878991-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2018-01-30 US disclosed
US-9878991-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2018-01-30 US disclosed
US-20160355499-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2016-12-08 US disclosed
US-20160355499-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. 2016-12-08 US disclosed
US-9365563-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2016-06-14 US disclosed
US-9365563-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof PURDUE PHARMA L.P. (US) 2016-06-14 US disclosed
EP-2604598-B1 TRPV1 antagonists and uses thereof PURDUE PHARMA LP (US) 2016-04-06 EP disclosed
US-20120177570-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. (US) 2012-07-12 US disclosed
US-20120177570-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF PURDUE PHARMA L.P. (US) 2012-07-12 US disclosed
CN-101932570-A The TRPV1 antagonist with and uses thereof SHIONOGI & CO 2010-12-29 CN disclosed
US-20090176796-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF PURDUE PHARMA L. P. (US) 2009-07-09 US disclosed
US-20090176796-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF PURDUE PHARMA L. P. (US) 2009-07-09 US disclosed
US-20090170867-A1 TRPV1 ANTAGONISTS INCLUDING SULFONAMIDE SUBSTITUENT AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2009-07-02 US disclosed
US-20090170867-A1 TRPV1 ANTAGONISTS INCLUDING SULFONAMIDE SUBSTITUENT AND USES THEREOF SHIONOGI & CO., LTD. (JP) 2009-07-02 US disclosed
US-20090170868-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L. P. (US) 2009-07-02 US disclosed
US-20090170868-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF PURDUE PHARMA L. P. (US) 2009-07-02 US disclosed
WO-2008132600-A2 TRPV1 ANTAGONISTS AND USES THEREOF PURDUE PHARMA L.P. (DE) 2008-11-06 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 (7 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-20180208575-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 MEN1 4805/4885KMT2A 4058/4885NR1H2 244/4885
US-20120177570-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV2 MEN1 4830/4885KMT2A 3850/4885NR1H2 380/4885
US-20090176796-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV2 MEN1 4830/4885KMT2A 3850/4885NR1H2 380/4885
US-20090170868-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 MEN1 4805/4885KMT2A 4058/4885NR1H2 244/4885
US-20160355499-A1 TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 MEN1 4805/4885KMT2A 4058/4885NR1H2 244/4885
US-10584110-B2 TRPV1 antagonists including dihydroxy substituent and uses thereof TRPV1, TRPA1, TRPV5 MEN1 4805/4885KMT2A 4058/4885NR1H2 244/4885
US-20090170867-A1 TRPV1 ANTAGONISTS INCLUDING SULFONAMIDE SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV5 MEN1 4814/4885KMT2A 3379/4885NR1H2 552/4885

“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.