SCHEMBL4136021

SCHEMBL4136021

Cc1ccccc1CN1CCc2c(NC(=O)CC34CC5CC(CC(C5)C3)C4)cccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.57
ALDH1A1 P00352 7/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 6/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PKM P14618 2/20 0.46
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4135190 0.89 ALDH1A1 (0.48) P2RX7ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4147859 0.89 P2RX7 (0.57) P2RX7ALDH1A1MAPTLMNA
SCHEMBL4141626 0.87 ALDH1A1 (0.53) P2RX7ALDH1A1MAPTLMNAMEN1
SCHEMBL4133203 0.86 P2RX7 (0.51) P2RX7ALDH1A1MAPTLMNAMEN1
SCHEMBL4147847 0.84 P2RX7 (0.46) P2RX7ALDH1A1LMNA
SCHEMBL4135049 0.83 P2RX7 (0.43) P2RX7ALDH1A1MAPTLMNAHTT
SCHEMBL4133284 0.83 P2RX7 (0.47) P2RX7ALDH1A1MAPTLMNAMEN1
SCHEMBL4135701 0.83 P2RX7 (0.46) P2RX7ALDH1A1LMNAMEN1KMT2A
SCHEMBL3008728 0.83 P2RX7 (0.49) P2RX7
SCHEMBL4147553 0.83 LMNA (0.52) P2RX7ALDH1A1MAPTLMNAMEN1

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
EP-1865774-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-19 EP claimed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US claimed
WO-2006102588-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO claimed
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 P2RX7 1/4885ALDH1A1 3640/4885MAPT 4477/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885ALDH1A1 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.