SCHEMBL12995

SCHEMBL12995

C[C@@H]1CCN(CCN2CCOCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT1 Q99873 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KEAP1 Q14145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2D6 P10635 2/20 0.40
TSHR P16473 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL12449699 1.00 KDM4E (0.45) KDM4ELMNARAB9ACARM1PRMT6
SCHEMBL1430617 1.00 KDM4E (0.45) KDM4ELMNARAB9ACARM1PRMT6
SCHEMBL664752 0.89 CARM1 (0.54) KDM4ECARM1PRMT6PRMT1PRMT8
SCHEMBL12449639 0.88 KDM4E (0.45) KDM4ELMNARAB9AALDH1A1KEAP1
SCHEMBL13433 0.88 KDM4E (0.45) KDM4ELMNARAB9AALDH1A1KEAP1
SCHEMBL13017 0.88 KDM4E (0.45) KDM4ELMNARAB9AALDH1A1KEAP1
SCHEMBL12451 0.85 CARM1 (0.45) KDM4ELMNARAB9ACARM1PRMT6
SCHEMBL12449687 0.85 CARM1 (0.45) KDM4ELMNARAB9ACARM1PRMT6
SCHEMBL17277609 0.83 HRH3 (0.45) KDM4EKEAP1SMN1; SMN2CYP2D6HRH3
SCHEMBL4379913 0.83 KEAP1 (0.52) CARM1PRMT6PRMT1PRMT8ALDH1A1

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 KDM4E 1093/4885LMNA 4520/4885RAB9A 1288/4885

“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.