SCHEMBL6047958

SCHEMBL6047958

C1CCC(CCCN2CN(CCCC3CCCCC3)CN(CCCC3CCCCC3)C2)CC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
SIGMAR1 Q99720 5/20 0.47
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
OPRK1 P41145 1/20 0.38
MAPT P10636 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL6047959 0.85 SIGMAR1 (0.44) CYP1A2SIGMAR1CHRM5ADRA2C
SCHEMBL30115021 0.84 HRH3 (0.54) CYP1A2SIGMAR1CHRM5ADRA2CHRH3
SCHEMBL5467402 0.84 CYP1A2 (0.48) CYP1A2SIGMAR1CHRM5ADRA2CHRH3
SCHEMBL30115019 0.84 HRH3 (0.54) CYP1A2SIGMAR1CHRM5ADRA2CHRH3
SCHEMBL11841456 0.79 SIGMAR1 (0.50) CYP1A2SIGMAR1CHRM5ADRA2CMAPT
SCHEMBL12359572 0.79 SIGMAR1 (0.50) CYP1A2SIGMAR1HRH3
SCHEMBL12130736 0.77 HRH3 (0.58) CYP1A2SIGMAR1CHRM5ADRA2CHRH3
SCHEMBL24008596 0.77 HRH3 (0.42) CYP1A2SIGMAR1HRH3
SCHEMBL2769012 0.77 RAD52 (0.51) CYP1A2SIGMAR1CHRM5
SCHEMBL30115022 0.77 HSD11B1 (0.54) CYP1A2SIGMAR1

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
US-7081557-B2 Method for the oligomerization of olefins using a cycloalkylalkyl-substituted triazacyclohexane BASELL POLYOLEFINE GMBH (DE) 2006-07-25 US disclosed
EP-1483051-B1 METHOD FOR THE OLIGOMERIZATION OF OLEFINS USING A CYCLOALKYLALKYL-SUBSTITUTED TRIAZACYCLOHEXANE BASELL POLYOLEFINE GMBH (DE) 2005-12-14 EP disclosed
US-20050256357-A1 Method for the oligomerization of olefins using a cycloalkylalkyl-substituted triazacyclohexane BASELL POLYOLEFINE GMBH (DE) 2005-11-17 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-20050256357-A1 Method for the oligomerization of olefins using a cycloalkylalkyl-substituted triazacyclohexane ALOX12, ALOX15B, ALOX15 CYP1A2 1135/4885SIGMAR1 1941/4885CHRM5 352/4885

“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.