SCHEMBL17679252

SCHEMBL17679252

C#CCN1CCN(CC#N)C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
DRD2 P14416 1/20 0.37
MAOA P21397 3/20 0.37
MAOB P27338 2/20 0.37
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37
POLB P06746 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
BCHE P06276 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL505697 0.92 RECQL (0.44) RECQLTP53MDM2POLBOPRM1
SCHEMBL10153079 0.80 RECQL (0.35) RECQLTP53MDM2POLBCHRM2
SCHEMBL23049672 0.78 DRD2 (0.44) DRD2MAOAMAOBBCHECHRM2
SCHEMBL25800782 0.78 DRD2 (0.41) DRD2MAOAMAOBBCHECHRM2
SCHEMBL505689 0.78 SIGMAR1 (0.39) RECQLTP53MDM2POLBALDH1A1
SCHEMBL24409946 0.71 ATM (0.35) DRD2TP53MDM2CHRM2CHRM4
SCHEMBL21180934 0.70 CHRM2 (0.36) DRD2CHRM2CHRM4CHRM5CHRM1
SCHEMBL25800778 0.70 TSHR (0.33)
SCHEMBL3609864 0.69 CHRNB2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4619311 0.68 RECQL (0.36) RECQLPOLBCHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160102060-A1 Synthesis of Triethylenetetramines PNMT, TES, TPR RECQL 1538/4885DRD2 515/4885MAOA 138/4885

“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.