SCHEMBL12649

SCHEMBL12649

COC(=O)CCN1CCC[C@@H](C)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
GAA P10253 1/20 0.52
POLB P06746 2/20 0.50
TERT O14746 1/20 0.48
KDM4E B2RXH2 3/20 0.48
HTR7 P34969 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44

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
SCHEMBL12449670 1.00 KMT2A (0.56) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL12650909 0.91 KMT2A (0.51) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL9487979 0.90 SMN1; SMN2 (0.59) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL8294664 0.84 KMT2A (0.51) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL18503227 0.81 ALDH1A1 (0.56) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL12909 0.81 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2ALDH1A1LMNAHRH3
SCHEMBL14655010 0.80 L3MBTL1 (0.56) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL5231802 0.80 SMN1; SMN2 (0.68) KMT2ASMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL5483874 0.79 SMN1; SMN2 (0.61) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL65886 0.79 SMN1; SMN2 (0.61) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT

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 KMT2A 936/4885SMN1; SMN2 2692/4885ALDH1A1 3185/4885

“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.