SCHEMBL12922

SCHEMBL12922

COCC(=O)N1CCC[C@H](C)C1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
LMNA P02545 1/20 0.65
POLB P06746 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 1/20 0.59
GAA P10253 3/20 0.56
HPGD P15428 2/20 0.56
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL13010 1.00 ALDH1A1 (0.65) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL13211793 1.00 ALDH1A1 (0.65) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL24456618 0.89 ALDH1A1 (0.50) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL26286612 0.89 ALDH1A1 (0.50) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL20233005 0.89 ALDH1A1 (0.50) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL17787750 0.84 ALDH1A1 (0.71) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL15014463 0.83 KMT2A (0.65) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL20698377 0.83 ALDH1A1 (0.46) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL20698378 0.83 ALDH1A1 (0.46) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL3397338 0.81 ALDH1A1 (0.44) ALDH1A1LMNAPOLBMEN1KMT2A

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 ALDH1A1 3185/4885LMNA 4520/4885POLB 1156/4885

“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.