SCHEMBL14768720

SCHEMBL14768720

CC(C)(C)NCC1CCN(CCF)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
CACNA1I Q9P0X4 9/20 0.36
KCNH2 Q12809 8/20 0.36
PRMT6 Q96LA8 3/20 0.35
CARM1 Q86X55 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CACNA1H O95180 1/20 0.34
CYP2D6 P10635 1/20 0.34
PIM1 P11309 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
SCHEMBL21214167 0.86 GNAI3 (0.51) GNAI3GNAO1GNAI1CACNA1IKCNH2
SCHEMBL10246565 0.82 GNAI3 (0.38) GNAI3GNAO1GNAI1CACNA1IKCNH2
SCHEMBL23919190 0.82 CACNA1I (0.49) GNAI3GNAO1GNAI1CACNA1IKCNH2
SCHEMBL24170969 0.81 PRMT6 (0.35) GNAI3GNAO1GNAI1KCNH2PRMT6
SCHEMBL14614920 0.81 GNAO1 (0.47) GNAI3GNAO1GNAI1KCNH2
SCHEMBL10245112 0.79 EPHX1 (0.41) GNAI3GNAO1GNAI1CACNA1IKCNH2
SCHEMBL4569282 0.79 NCF1 (0.46) GNAI3GNAO1GNAI1
SCHEMBL17010887 0.79 KDM1A (0.35) CACNA1IKCNH2CACNA1H
SCHEMBL19958952 0.78 KCNH2 (0.52) GNAI3GNAO1GNAI1CACNA1IKCNH2
SCHEMBL16745494 0.78 ACHE (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065883-A1 Triazolo [4, 5- B] Pyridin Derivatives Centro Nacional de Investigaceiones Oncologicas (CNIO) (ES) 2013-03-14 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-20130065883-A1 Triazolo [4, 5- B] Pyridin Derivatives PIM1, PIM3, PIM2 GNAI3 3323/4885GNAO1 4147/4885GNAI1 3630/4885

“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.