SCHEMBL2526312

SCHEMBL2526312

c1ccc(C2(c3nn[nH]n3)CCNCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.59
KMT2A Q03164 6/20 0.55
TET3 O43151 4/20 0.55
FBXL19 Q6PCT2 4/20 0.55
TET1 Q8NFU7 4/20 0.55
KDM2B Q8NHM5 4/20 0.55
CXXC4 Q9H2H0 4/20 0.55
KDM2A Q9Y2K7 4/20 0.55
CXXC5 Q7LFL8 3/20 0.55
HTR2A P28223 1/20 0.51
AKT2 P31751 1/20 0.44
PDE5A O76074 1/20 0.39
MAP4K4 O95819 1/20 0.39
OPRD1 P41143 1/20 0.38
HSD11B1 P28845 1/20 0.37
LPAR1 Q92633 1/20 0.36
TACR1 P25103 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
Hydrochloric Acid SCHEMBL2529676 0.98 OPRM1 (0.58) OPRM1KMT2ATET3FBXL19TET1
Hydrochloric Acid SCHEMBL28758425 0.97 OPRM1 (0.56) OPRM1KMT2ATET3FBXL19TET1
SCHEMBL31147394 0.81 KMT2A (0.59) OPRM1KMT2ATET3FBXL19TET1
SCHEMBL738518 0.76 OPRM1 (1.00) OPRM1KMT2AHTR2AAKT2TACR1
SCHEMBL2529201 0.76 KMT2A (0.57) OPRM1KMT2ATET3FBXL19TET1
SCHEMBL14520965 0.75 TET3 (0.72) OPRM1KMT2ATET3FBXL19TET1
Hydrochloric Acid SCHEMBL1765284 0.74 OPRM1 (0.95) OPRM1KMT2AHTR2AAKT2TACR1
SCHEMBL1579590 0.74 OPRM1 (0.59) OPRM1KMT2ATET3FBXL19TET1
SCHEMBL12216249 0.74 OPRM1 (0.59) OPRM1KMT2ATET3FBXL19TET1
SCHEMBL29277492 0.73 KMT2A (0.45) 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 15 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
CN-1914192-A Process for preparing 4-tetrazolyl-4-phenylpiperidine compounds EURO CELTIQUE SA (LU) 2007-02-14 CN 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 OPRM1 250/4885KMT2A 2351/4885TET3 1942/4885
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 OPRM1 211/4885KMT2A 1280/4885TET3 869/4885

“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.