SCHEMBL11923

SCHEMBL11923

FC1CCN(CCN2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.46
CYP1A2 P05177 1/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
ACHE P22303 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34

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
SCHEMBL18082807 0.97 HRH3 (0.48) HRH3CYP1A2CARM1PRMT6PRMT8
SCHEMBL13002 0.87 HRH3 (0.47) HRH3CYP1A2CARM1PRMT6PRMT8
SCHEMBL13215 0.85 HRH3 (0.49) HRH3CYP1A2CHRM5ADRA2CMAPT
SCHEMBL12385 0.85 HRH3 (0.49) HRH3CYP1A2CHRM5ADRA2CMAPT
SCHEMBL31448266 0.82 HRH3 (0.44) HRH3CYP1A2POLBL3MBTL1GNAI3
SCHEMBL6946272 0.81 GNAI3 (0.52) HRH3CYP1A2CARM1PRMT6PRMT8
SCHEMBL18082740 0.79 HRH3 (0.46) HRH3CYP1A2CARM1PRMT6PRMT8
SCHEMBL2761795 0.79 GNAI3 (0.50) HRH3CYP1A2CARM1PRMT6PRMT8
SCHEMBL2761704 0.79 GNAI3 (0.50) HRH3CYP1A2CARM1PRMT6PRMT8
SCHEMBL16627426 0.79 DRD2 (0.43) GNAI3GNAO1GNAI1

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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA HRH3 571/4885CYP1A2 1663/4885CARM1 1021/4885

“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.