SCHEMBL13002

SCHEMBL13002

F[C@@H]1CCN(CCN2CCCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.47
CYP1A2 P05177 1/20 0.36
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
CHRM5 P08912 1/20 0.34
ADRA2C P18825 1/20 0.34
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 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
SCHEMBL13215 0.98 HRH3 (0.49) HRH3CYP1A2CHRM5ADRA2CTSHR
SCHEMBL12385 0.98 HRH3 (0.49) HRH3CYP1A2CHRM5ADRA2CTSHR
SCHEMBL31448266 0.95 HRH3 (0.44) HRH3CYP1A2POLB
SCHEMBL11923 0.87 HRH3 (0.46) HRH3CYP1A2CARM1PRMT6PRMT8
SCHEMBL2762300 0.86 GNAI3 (0.42) HRH3
SCHEMBL18082807 0.85 HRH3 (0.48) HRH3CYP1A2CARM1PRMT6PRMT8
SCHEMBL18082740 0.83 HRH3 (0.46) HRH3CYP1A2CARM1PRMT6PRMT8
SCHEMBL12775 0.81 KDM4E (0.45) HRH3ALDH1A1POLBMAPT
SCHEMBL12449652 0.81 KDM4E (0.45) HRH3ALDH1A1POLBMAPT
SCHEMBL12774 0.81 KDM4E (0.45) HRH3ALDH1A1POLBMAPT

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-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
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.