SCHEMBL12843

SCHEMBL12843

C[C@@H]1CCCN(C2CCOCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 9/20 0.47
ALDH1A1 P00352 5/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 2/20 0.39
KDM2B Q8NHM5 2/20 0.39
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 3/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL17828048 1.00 ADRA1A (0.47) ADRA1AALDH1A1PKMKDM4EKDM2B
SCHEMBL12449654 1.00 ADRA1A (0.47) ADRA1AALDH1A1PKMKDM4EKDM2B
SCHEMBL17828049 0.89 KDM2B (0.41) ADRA1AALDH1A1PKMKDM4EKDM2B
SCHEMBL12717671 0.88 ADRA1A (0.37) ADRA1AALDH1A1PKMKDM4EKDM2B
SCHEMBL10130217 0.88 ADRA1A (0.37) ADRA1AALDH1A1PKMKDM4EKDM2B
SCHEMBL10130189 0.88 ADRA1A (0.37) ADRA1AALDH1A1PKMKDM4EKDM2B
SCHEMBL12718106 0.85 ADRA1A (0.41) ADRA1AALDH1A1KDM4ELMNA
SCHEMBL13036987 0.85 ADRA1A (0.41) ADRA1AALDH1A1KDM4ELMNA
SCHEMBL12547 0.84 KDM4E (0.40) ADRA1AALDH1A1PKMKDM4EHRH3
SCHEMBL12895 0.84 KDM4E (0.40) ADRA1AALDH1A1PKMKDM4EHRH3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023028534-A1 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-03-02 WO disclosed
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 ADRA1A 3308/4885ALDH1A1 3185/4885PKM 727/4885

“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.