SCHEMBL4140491

SCHEMBL4140491

Cc1cnc(CN2CCc3c(NC(=O)CC45CC6CC(C)(CC(C)(C6)C4)C5)cccc3C2=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.41
ALDH1A1 P00352 7/20 0.41
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.36
P2RX7 Q99572 2/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
CDK9 P50750 1/20 0.34
RAB9A P51151 1/20 0.33
PKM P14618 2/20 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
SCHEMBL4133284 0.90 P2RX7 (0.47) LMNAALDH1A1MAPTKMT2AP2RX7
SCHEMBL4144957 0.88 ALDH1A1 (0.41) LMNAALDH1A1MAPTKMT2AP2RX7
SCHEMBL4140616 0.85 LMNA (0.51) LMNAALDH1A1MAPTKMT2AP2RX7
SCHEMBL4135942 0.84 EPHX2 (0.39) LMNAALDH1A1MAPTKMT2AP2RX7
SCHEMBL4137906 0.82 ALDH1A1 (0.45) LMNAALDH1A1MAPTKMT2AP2RX7
SCHEMBL5608843 0.80 ALDH1A1 (0.42) LMNAALDH1A1MAPTKMT2AP2RX7
SCHEMBL4140362 0.80 ALDH1A1 (0.40) LMNAALDH1A1MAPTKMT2AP2RX7
SCHEMBL4141762 0.80 EPHX2 (0.42) LMNAALDH1A1MAPTKMT2AP2RX7
SCHEMBL4153793 0.80 P2RX7 (0.36) LMNAALDH1A1MAPTKMT2AP2RX7
SCHEMBL4144815 0.80 P2RX7 (0.36) LMNAALDH1A1MAPTP2RX7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US claimed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US claimed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US claimed
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US disclosed
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US disclosed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US disclosed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US 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 (2 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-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 LMNA 1911/4885ALDH1A1 3640/4885MAPT 4477/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 LMNA 1911/4885ALDH1A1 3640/4885MAPT 4477/4885

“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.