SCHEMBL2529201

SCHEMBL2529201

c1ccc(CN2CCC(c3ccccc3)(c3nn[nH]n3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
TET3 O43151 4/20 0.57
FBXL19 Q6PCT2 4/20 0.57
TET1 Q8NFU7 4/20 0.57
KDM2B Q8NHM5 4/20 0.57
CXXC4 Q9H2H0 4/20 0.57
KDM2A Q9Y2K7 4/20 0.57
CXXC5 Q7LFL8 3/20 0.57
OPRL1 P41146 2/20 0.50
POLB P06746 1/20 0.49
OPRM1 P35372 1/20 0.47
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SIGMAR1 Q99720 3/20 0.44

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
SCHEMBL6017029 0.90 OPRM1 (0.66) KMT2ATET3FBXL19TET1KDM2B
SCHEMBL27645407 0.87 KMT2A (0.55) KMT2ATET3FBXL19TET1KDM2B
SCHEMBL11738755 0.80 OPRL1 (0.69) KMT2AOPRL1POLBOPRM1TSHR
SCHEMBL12216069 0.79 OPRL1 (0.50) KMT2AOPRL1POLBOPRM1TSHR
Hydrochloric Acid SCHEMBL11744428 0.78 POLB (0.70) KMT2AOPRL1POLBOPRM1TSHR
SCHEMBL2526312 0.76 OPRM1 (0.59) KMT2ATET3FBXL19TET1KDM2B
SCHEMBL14520965 0.75 TET3 (0.72) KMT2ATET3FBXL19TET1KDM2B
SCHEMBL13435360 0.75 KCNA3 (0.59) KMT2ATET3FBXL19TET1KDM2B
Hydrochloric Acid SCHEMBL2529676 0.75 OPRM1 (0.58) KMT2ATET3FBXL19TET1KDM2B
SCHEMBL12216179 0.74 KMT2A (0.54) KMT2ATET3FBXL19TET1KDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039636-B2 Methods for making 4-tetrazolyl-4-phenylpiperidine compounds PURDUE PHARMA L.P. (US) 2011-10-18 US disclosed
US-8039636-B2 Methods for making 4-tetrazolyl-4-phenylpiperidine compounds PURDUE PHARMA L.P. (US) 2011-10-18 US disclosed
US-8039636-B2 Methods for making 4-tetrazolyl-4-phenylpiperidine compounds PURDUE PHARMA L.P. (US) 2011-10-18 US disclosed
US-20090240056-A1 METHODS FOR MAKING 4-TETRAZOLYL-4-PHENYLPIPERIDINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2009-09-24 US disclosed
US-20090240056-A1 METHODS FOR MAKING 4-TETRAZOLYL-4-PHENYLPIPERIDINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2009-09-24 US disclosed
US-20090240056-A1 METHODS FOR MAKING 4-TETRAZOLYL-4-PHENYLPIPERIDINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2009-09-24 US disclosed
US-7557219-B2 Methods for making 4-tetrazolyl-4-phenylpiperidine compounds PURDUE PHARMA L.P. (US) 2009-07-07 US disclosed
US-7557219-B2 Methods for making 4-tetrazolyl-4-phenylpiperidine compounds PURDUE PHARMA L.P. (US) 2009-07-07 US disclosed
US-7557219-B2 Methods for making 4-tetrazolyl-4-phenylpiperidine compounds PURDUE PHARMA L.P. (US) 2009-07-07 US disclosed
US-20070072909-A1 deblocking, deprotecting; debenzylation; for preventing pain, diarrhea EURO-CELTIQUE S.A. 2007-03-29 US disclosed
US-20070072909-A1 deblocking, deprotecting; debenzylation; for preventing pain, diarrhea EURO-CELTIQUE S.A. 2007-03-29 US disclosed
US-20070072909-A1 deblocking, deprotecting; debenzylation; for preventing pain, diarrhea EURO-CELTIQUE S.A. 2007-03-29 US disclosed
EP-1709029-A2 METHODS FOR MAKING 4-TETRAZOLYL-4-PHENYLPIPERIDINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2006-10-11 EP disclosed
WO-2005075455-A2 METHODS FOR MAKING 4-TETRAZOLYL-4-PHENYLPIPERIDINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2005-08-18 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-20070072909-A1 deblocking, deprotecting; debenzylation; for preventing pain, diarrhea OPRL1, DECR1, PKD1 KMT2A 2351/4885TET3 1942/4885FBXL19 2233/4885
US-20090240056-A1 METHODS FOR MAKING 4-TETRAZOLYL-4-PHENYLPIPERIDINE COMPOUNDS NAT1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR KMT2A 1280/4885TET3 869/4885FBXL19 2764/4885

“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.