SCHEMBL4148394

SCHEMBL4148394

CC(c1ccccc1)N1CCc2c(NC(=O)CC34CC5CC(C)(CC(C)(C5)C3)C4)cccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.39
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
EPHX2 P34913 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4147730 1.00 P2RX7 (0.39) P2RX7KMT2ACNR1CNR2ALDH1A1
SCHEMBL4142225 0.89 P2RX7 (0.51) P2RX7
SCHEMBL13243904 0.88 P2RX7 (0.47) P2RX7KMT2AALDH1A1SMN1; SMN2
SCHEMBL13243903 0.88 P2RX7 (0.47) P2RX7KMT2AALDH1A1SMN1; SMN2
SCHEMBL14135163 0.85 P2RX7 (0.35) P2RX7KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4995800 0.84 P2RX7 (0.37) P2RX7KMT2AALDH1A1SMN1; SMN2
SCHEMBL4140616 0.83 LMNA (0.51) P2RX7KMT2ACNR2ALDH1A1LMNA
SCHEMBL5608843 0.82 ALDH1A1 (0.42) P2RX7KMT2ACNR2ALDH1A1LMNA
SCHEMBL4135226 0.80 LMNA (0.33) P2RX7KMT2ACNR1CNR2ALDH1A1
SCHEMBL4137906 0.79 ALDH1A1 (0.45) P2RX7KMT2AALDH1A1LMNAEPHX2

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 P2RX7 1/4885KMT2A 4614/4885CNR1 49/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KMT2A 4614/4885CNR1 49/4885

“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.