SCHEMBL4989382

SCHEMBL4989382

CC12CC3CC(C)(C1)CC(CC(=O)Nc1ncnc4c1CCN(Cc1ccc(F)cc1)C4)(C3)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 2/20 0.37
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
EPHX2 P34913 9/20 0.37
CFTR P13569 2/20 0.36
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35
TNF P01375 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 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
SCHEMBL4991840 0.93 BRS3 (0.37) LMNAKDM4EHTTSMN1; SMN2MAPT
SCHEMBL5144590 0.90 GPR6 (0.35) ALDH1A1
SCHEMBL4982679 0.89 TSHR (0.43) LMNAKDM4EPKMHTTSMN1; SMN2
SCHEMBL4985493 0.88 EPHX2 (0.35) HTTEPHX2MEN1RAB9AKMT2A
SCHEMBL4980818 0.87 ALDH1A1 (0.39) LMNAKDM4ESMN1; SMN2MAPTHPGD
SCHEMBL5141408 0.86 P2RX7 (0.38) MAPTMEN1RAB9AKMT2ATP53
SCHEMBL4989353 0.86 FAAH (0.36) LMNAKDM4EPKMHTTSMN1; SMN2
SCHEMBL4982656 0.85 P2RX7 (0.38) LMNATHRBMAPTALDH1A1TP53
SCHEMBL14272270 0.85 EPHX2 (0.39) EPHX2MKNK1
SCHEMBL4984735 0.84 BRS3 (0.40) LMNAKDM4EHTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 LMNA 1911/4885KDM4E 4128/4885PKM 1098/4885

“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.