SCHEMBL19803145

SCHEMBL19803145

CCCN1CN(CCC)CN(CCCN2CCCN=C2C)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL19803146 0.94 KDM4E (0.31) TSHRHTT
SCHEMBL19803147 0.85 PIM1 (0.32)
SCHEMBL19803142 0.84 MAOB (0.30)
SCHEMBL17424836 0.83 TSHR (0.43) TSHRHTTCYP2D6CYP3A4CYP2C19
SCHEMBL246647 0.83 CYP2D6 (0.38) TSHRHTTCYP2D6CYP3A4CYP2C19
SCHEMBL11121197 0.80 ALDH1A1 (0.43) TSHRHTTCYP2D6CYP1A2
SCHEMBL22068835 0.77 KDM4E (0.36) TSHRHTTCYP2D6CYP3A4CYP2C19
SCHEMBL22769465 0.75 KDM4E (0.32) TSHRHTT
SCHEMBL11135987 0.75 KDM4E (0.32) TSHRHTT
SCHEMBL18154850 0.73 ALDH1A1 (0.33) TSHRHTTCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484857-B1 CATALYST FOR CURABLE COMPOSITIONS COMPRISING HEXAHYDROTRIAZIN STRUCTURAL UNITS SIKA TECH AG (CH) 2021-03-03 EP disclosed
US-20190240649-A1 CATALYST FOR CURABLE COMPOSITIONS CONTAINING HEXAHYDROTRIAZINE STRUCTURAL UNITS SIKA TECHNOLOGY AG (CH) 2019-08-08 US disclosed
WO-2018015344-A1 CATALYST FOR CURABLE COMPOSITIONS CONTAINING HEXAHYDROTRIAZINE STRUCTURAL UNITS SIKA TECHNOLOGY AG (CH) 2018-01-25 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 (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-20190240649-A1 CATALYST FOR CURABLE COMPOSITIONS CONTAINING HEXAHYDROTRIAZINE STRUCTURAL UNITS GMNN, GEMIN5, ODC1 TSHR 4314/4885HTT 1484/4885CYP2D6 2422/4885

“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.