SCHEMBL12895

SCHEMBL12895

C[C@H]1CCCN(C2CCOCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40
HRH3 Q9Y5N1 10/20 0.36
ALDH1A1 P00352 3/20 0.36
PKM P14618 1/20 0.36
ADRA1A P35348 1/20 0.36
L3MBTL3 Q96JM7 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 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
SCHEMBL12547 1.00 KDM4E (0.40) KDM4EPOLBHRH3ALDH1A1PKM
SCHEMBL736093 0.92 KDM4E (0.41) KDM4EPOLBHRH3LMNACHRM2
SCHEMBL12718121 0.85 KDM4E (0.46) KDM4EPOLBHRH3ALDH1A1L3MBTL3
SCHEMBL12843 0.84 ADRA1A (0.47) KDM4EHRH3ALDH1A1PKMADRA1A
SCHEMBL17828048 0.84 ADRA1A (0.47) KDM4EHRH3ALDH1A1PKMADRA1A
SCHEMBL12449654 0.84 ADRA1A (0.47) KDM4EHRH3ALDH1A1PKMADRA1A
SCHEMBL15508744 0.83 KDM4E (0.44) KDM4EPOLBALDH1A1LMNA
SCHEMBL23943467 0.81 KDM4E (0.44) KDM4EPOLBHRH3ALDH1A1
SCHEMBL5251960 0.81 KDM4E (0.43) KDM4EPOLBHRH3ALDH1A1LMNA
SCHEMBL2435401 0.80 L3MBTL3 (0.48) KDM4EHRH3ALDH1A1L3MBTL3L3MBTL1

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 1093/4885POLB 1156/4885HRH3 571/4885

“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.