SCHEMBL19200875

SCHEMBL19200875

CCC(C)(C)CCN1CCC(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PRMT1 Q99873 1/20 0.47
PRMT8 Q9NR22 1/20 0.47
HRH3 Q9Y5N1 11/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
MAOB P27338 1/20 0.43
KCNA3 P22001 1/20 0.43
SIGMAR1 Q99720 3/20 0.41
ACHE P22303 2/20 0.41

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
SCHEMBL18380803 0.86 CARM1 (0.46) CARM1PRMT6PRMT1PRMT8HRH3
SCHEMBL10032113 0.81 CARM1 (0.52) CARM1PRMT6PRMT1PRMT8HRH3
SCHEMBL18007378 0.79 ACHE (0.41) CARM1PRMT6PRMT1PRMT8HRH3
SCHEMBL18403180 0.79 CARM1 (0.39) CARM1PRMT6PRMT8HRH3MAOB
SCHEMBL21214412 0.78 HRH3 (0.48) HRH3MAOB
SCHEMBL19226691 0.78 HRH3 (0.48) HRH3MAOB
SCHEMBL19200880 0.78 CARM1 (0.48) CARM1PRMT6PRMT1PRMT8HRH3
SCHEMBL24800863 0.77 CACNA1I (0.31) SIGMAR1
SCHEMBL19573431 0.77 RAB9A (0.38) HTTSIGMAR1
SCHEMBL13948657 0.77 HRH3 (0.42) CARM1PRMT6PRMT8HRH3MAOB

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-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 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-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 CARM1 2906/4885PRMT6 2176/4885PRMT1 2208/4885

“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.