SCHEMBL12950

SCHEMBL12950

C[C@@H]1CCCN(CCC2CCCCC2)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ACHE P22303 1/20 0.44
SIGMAR1 Q99720 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
MAOB P27338 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL12449662 1.00 KDM4E (0.47) KDM4EACHESIGMAR1L3MBTL1CYP1A2
SCHEMBL12390 0.84 KDM4E (0.41) KDM4EHRH3MAOBGAASMN1; SMN2
SCHEMBL13104 0.84 KDM4E (0.41) KDM4EHRH3MAOBGAASMN1; SMN2
SCHEMBL12780 0.84 KDM4E (0.41) KDM4EHRH3MAOBGAASMN1; SMN2
SCHEMBL19805957 0.84 SIGMAR1 (0.47) ACHESIGMAR1L3MBTL1CYP1A2CHRM5
SCHEMBL19981616 0.84 KDM4E (0.42) KDM4EHRH3GAASMN1; SMN2
SCHEMBL1201944 0.81 ACHE (0.62) KDM4EACHESIGMAR1L3MBTL1SMN1; SMN2
SCHEMBL12522638 0.81 SIGMAR1 (0.45) ACHESIGMAR1L3MBTL1CYP1A2HRH3
SCHEMBL12522639 0.81 SIGMAR1 (0.45) ACHESIGMAR1L3MBTL1CYP1A2HRH3
SCHEMBL12666 0.80 KDM4E (0.49) KDM4EL3MBTL1CYP1A2HRH3

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 1093/4885ACHE 2535/4885SIGMAR1 3225/4885

“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.