SCHEMBL4144957

SCHEMBL4144957

CC12CC3CC(C)(C1)CC(CC(=O)Nc1cccc4c1CCN(Cc1ccccn1)C4=O)(C3)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
KMT2A Q03164 2/20 0.37
P2RX7 Q99572 2/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
KDR P35968 1/20 0.35
DHPS P49366 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
ERBB4 Q15303 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL4135701 0.89 P2RX7 (0.46) ALDH1A1LMNADDB1CRBNKMT2A
SCHEMBL4140491 0.88 LMNA (0.41) ALDH1A1LMNAMAPTKMT2AP2RX7
SCHEMBL4140616 0.88 LMNA (0.51) ALDH1A1LMNAMAPTKMT2AP2RX7
SCHEMBL14135192 0.85 ALDH1A1 (0.37) ALDH1A1LMNAMAPTDDB1CRBN
SCHEMBL4137906 0.85 ALDH1A1 (0.45) ALDH1A1LMNAMAPTKMT2AP2RX7
SCHEMBL4135942 0.84 EPHX2 (0.39) ALDH1A1LMNAMAPTKMT2AP2RX7
SCHEMBL5608843 0.83 ALDH1A1 (0.42) ALDH1A1LMNAMAPTKMT2AP2RX7
SCHEMBL4140362 0.81 ALDH1A1 (0.40) ALDH1A1LMNAMAPTKMT2AP2RX7
SCHEMBL4141762 0.80 EPHX2 (0.42) ALDH1A1LMNAMAPTKMT2AP2RX7
SCHEMBL4153793 0.80 P2RX7 (0.36) ALDH1A1LMNAMAPTKMT2AP2RX7

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 ALDH1A1 3640/4885LMNA 1911/4885MAPT 4477/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 ALDH1A1 3640/4885LMNA 1911/4885MAPT 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.