SCHEMBL4147553

SCHEMBL4147553

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2c1CCN(Cc1ccc(F)cc1)C2=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 10/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 5/20 0.52
HTT P42858 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
NCOA3 Q9Y6Q9 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
P2RX7 Q99572 4/20 0.47
MAPT P10636 3/20 0.46
ALOX5 P09917 2/20 0.46
EPHX2 P34913 2/20 0.46
MAPK1 P28482 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
SCHEMBL4141626 0.92 ALDH1A1 (0.53) LMNASMN1; SMN2ALDH1A1L3MBTL1NCOA3
SCHEMBL4137910 0.90 P2RX7 (0.45) LMNASMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL4144960 0.90 P2RX7 (0.43) LMNASMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL4147847 0.88 P2RX7 (0.46) LMNAALDH1A1P2RX7EPHX2
SCHEMBL4135049 0.88 P2RX7 (0.43) LMNASMN1; SMN2ALDH1A1HTTL3MBTL1
SCHEMBL4135190 0.86 ALDH1A1 (0.48) LMNASMN1; SMN2ALDH1A1P2RX7MAPT
SCHEMBL4135955 0.85 KMT2A (0.53) LMNASMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL4147859 0.85 P2RX7 (0.57) LMNAALDH1A1P2RX7MAPT
SCHEMBL4999118 0.85 P2RX7 (0.41) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3008728 0.84 P2RX7 (0.49) P2RX7

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 11 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-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 1911/4885SMN1; SMN2 4369/4885ALDH1A1 3640/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 LMNA 1911/4885SMN1; SMN2 4369/4885ALDH1A1 3640/4885

“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.