SCHEMBL12451

SCHEMBL12451

C[C@@H]1CCN(CCN2CCC(F)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
PRMT1 Q99873 1/20 0.45
PRMT8 Q9NR22 1/20 0.45
ACHE P22303 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
SIGMAR1 Q99720 5/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD1 P21728 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 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
SCHEMBL12449687 1.00 CARM1 (0.45) CARM1PRMT6PRMT1PRMT8ACHE
SCHEMBL12449708 0.91 CARM1 (0.41) CARM1PRMT6PRMT1PRMT8ACHE
SCHEMBL12449704 0.91 CARM1 (0.41) CARM1PRMT6PRMT1PRMT8ACHE
SCHEMBL12673 0.91 CARM1 (0.41) CARM1PRMT6PRMT1PRMT8ACHE
SCHEMBL12449657 0.90 KDM4E (0.45) HRH3POLBKDM4ELMNAALDH1A1
SCHEMBL12449656 0.90 KDM4E (0.45) HRH3POLBKDM4ELMNAALDH1A1
SCHEMBL1430617 0.85 KDM4E (0.45) CARM1PRMT6PRMT1PRMT8ACHE
SCHEMBL12449699 0.85 KDM4E (0.45) CARM1PRMT6PRMT1PRMT8ACHE
SCHEMBL12995 0.85 KDM4E (0.45) CARM1PRMT6PRMT1PRMT8ACHE
SCHEMBL12775 0.82 KDM4E (0.45) HRH3POLBKDM4ELMNAALDH1A1

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 6 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-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US 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 CARM1 1021/4885PRMT6 618/4885PRMT1 228/4885

“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.