SCHEMBL505692

SCHEMBL505692

CC1(c2ccccc2)N(CC(N)=O)CCN1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
OPRM1 P35372 6/20 0.38
OPRL1 P41146 6/20 0.38
NR1I2 O75469 1/20 0.35
RORC P51449 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
S100A4 P26447 1/20 0.34
BRCA1 P38398 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN2B Q13224 1/20 0.34
AMPD2 Q01433 1/20 0.34
HTT P42858 1/20 0.33
KCNN4 O15554 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33

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
SCHEMBL27690244 0.72 OPRM1 (0.45) TDP1OPRM1OPRL1NR1I2RORC
SCHEMBL5514318 0.66 OPRM1 (0.44) OPRM1OPRL1
Biphenyl SCHEMBL27679403 0.64 KCNN4 (0.37) TDP1OPRM1OPRL1NR1I2RORC
SCHEMBL21061293 0.64 OPRL1 (0.58) OPRM1OPRL1
SCHEMBL4759637 0.64 HTR2A (0.38) OPRM1SIGMAR1POLBKMT2AALDH1A1
SCHEMBL29359141 0.64 ALDH1A1 (0.40) HTTALDH1A1LMNA
SCHEMBL18088639 0.63 OPRM1 (0.49) OPRM1MEN1KMT2AALDH1A1LMNA
SCHEMBL15520829 0.62 MAOB (0.35) OPRM1OPRL1MAPTALDH1A1
SCHEMBL11661570 0.62 MEN1 (0.47) OPRM1SIGMAR1MEN1KMT2AGRIN2B
SCHEMBL3433975 0.61 MEN1 (0.46) OPRM1SIGMAR1MEN1KMT2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029203-A1 Synthesis Of Triethylenetetramines PHILERA NEW ZEALAND LIMITED (NZ) 2012-02-02 US claimed
US-20060041170-A1 starting the reaction of alkylating ethylenediamine with formaldehyde to form pure triethylenetetramine; salt formation of triethylenetetramine disuccinate or triethylenetetramine tetrahydrochloride PHILERA NEW ZEALAND LIMITED (NZ) 2006-02-23 US claimed
US-11795150-B2 Synthesis of triethylenetetramines PHILERA NEW ZEALAND LIMITED (NZ) 2023-10-24 US disclosed
US-20200148647-A1 Synthesis of Triethylenetetramines PHILERA NEW ZEALAND LIMITED (NZ) 2020-05-14 US disclosed
US-20170226064-A1 Synthesis of Triethylenetetramines PHILERA NEW ZEALAND LIMITED (NZ) 2017-08-10 US disclosed
US-9556123-B2 Synthesis of triethylenetetramines PHILERA NEW ZEALAND LIMITED (NZ) 2017-01-31 US disclosed
US-20160102060-A1 Synthesis of Triethylenetetramines PROTEMIX CORPORATION LIMITED (NZ) 2016-04-14 US disclosed
US-20150057466-A1 Synthesis of Triethylenetetramines PHILERA NEW ZEALAND LIMITED (NZ) 2015-02-26 US disclosed
US-8912362-B2 Synthesis of triethylenetetramines PHILERA NEW ZEALAND LIMITED (NZ) 2014-12-16 US disclosed
US-20130345311-A1 Synthesis Of Triethylenetetramines PHILERA NEW ZEALAND LIMITED (NZ) 2013-12-26 US disclosed
EP-1778618-B1 SYNTHESIS OF TRIETHYLENETETRAMINES PHILERA NEW ZEALAND LTD (NZ) 2013-12-25 EP disclosed
US-8394992-B2 Synthesis of triethylenetetramines PHILERA NEW ZEALAND LIMITED (NZ) 2013-03-12 US disclosed
US-20120029203-A1 Synthesis Of Triethylenetetramines PHILERA NEW ZEALAND LIMITED (NZ) 2012-02-02 US disclosed
US-8067641-B2 Synthesis of triethylenetetramines PHILERA NEW ZEALAND LIMITED (NZ) 2011-11-29 US disclosed
US-20100173994-A1 Synthesis of triethylenetetramines PROTEMIX CORPORATION LIMITED (NZ) 2010-07-08 US disclosed
US-7582796-B2 starting the reaction of alkylating ethylenediamine with formaldehyde to form pure triethylenetetramine; salt formation of triethylenetetramine disuccinate or triethylenetetramine tetrahydrochloride PROTEMIX CORPORATION LIMITED (NZ) 2009-09-01 US disclosed
US-20060041170-A1 starting the reaction of alkylating ethylenediamine with formaldehyde to form pure triethylenetetramine; salt formation of triethylenetetramine disuccinate or triethylenetetramine tetrahydrochloride PHILERA NEW ZEALAND LIMITED (NZ) 2006-02-23 US 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 (9 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-11795150-B2 Synthesis of triethylenetetramines PNMT, TES, TPR TDP1 1337/4885OPRM1 338/4885OPRL1 2811/4885
US-20160102060-A1 Synthesis of Triethylenetetramines PNMT, TES, TPR TDP1 1337/4885OPRM1 338/4885OPRL1 2811/4885
US-20170226064-A1 Synthesis of Triethylenetetramines PNMT, TES, TPR TDP1 1337/4885OPRM1 338/4885OPRL1 2811/4885
US-20130345311-A1 Synthesis Of Triethylenetetramines PNMT, TES, TPR TDP1 1337/4885OPRM1 338/4885OPRL1 2811/4885
US-20120029203-A1 Synthesis Of Triethylenetetramines PNMT, TES, TPR TDP1 1337/4885OPRM1 338/4885OPRL1 2811/4885
US-20150057466-A1 Synthesis of Triethylenetetramines PNMT, TES, TPR TDP1 1337/4885OPRM1 338/4885OPRL1 2811/4885
US-20200148647-A1 Synthesis of Triethylenetetramines PNMT, TES, TPR TDP1 1337/4885OPRM1 338/4885OPRL1 2811/4885
US-20060041170-A1 starting the reaction of alkylating ethylenediamine with formaldehyde to form pure triethylenetetramine; salt formation of triethylenetetramine disuccinate or triethylenetetramine tetrahydrochloride TET1, TET2, TET3 TDP1 600/4885OPRM1 3118/4885OPRL1 4591/4885
US-20100173994-A1 Synthesis of triethylenetetramines PNMT, TES, TPR TDP1 1337/4885OPRM1 338/4885OPRL1 2811/4885

“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.