SCHEMBL12390

SCHEMBL12390

C[C@@H]1CCCN(CCC2CCOCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
HRH3 Q9Y5N1 9/20 0.39
MAOB P27338 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL12780 1.00 KDM4E (0.41) KDM4EHRH3MAOBGAASMN1; SMN2
SCHEMBL13104 1.00 KDM4E (0.41) KDM4EHRH3MAOBGAASMN1; SMN2
SCHEMBL11932 0.90 MCHR1 (0.39) KDM4EHRH3LMNAHPGDPOLB
SCHEMBL12449690 0.90 MCHR1 (0.39) KDM4EHRH3LMNAHPGDPOLB
SCHEMBL12950 0.84 KDM4E (0.47) KDM4EHRH3MAOBGAASMN1; SMN2
SCHEMBL12449662 0.84 KDM4E (0.47) KDM4EHRH3MAOBGAASMN1; SMN2
SCHEMBL18082890 0.84 GBA1 (0.37) KDM4ELMNA
SCHEMBL12827 0.83 ACHE (0.43) KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL12449646 0.83 ACHE (0.43) KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL25854024 0.83 ACHE (0.43) KDM4ESMN1; SMN2ALDH1A1LMNA

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 1093/4885HRH3 571/4885MAOB 1446/4885

“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.