SCHEMBL4989439

SCHEMBL4989439

CC(=O)N1CCc2c(ncnc2NC(=O)CC23CC4CC(CC(C4)C2)C3)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.45
EPHX2 P34913 1/20 0.42
P2RX7 Q99572 4/20 0.42
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL4983767 0.91 EPHX1 (0.46) TSHREPHX1EPHX2P2RX7ALDH1A1
SCHEMBL4985425 0.90 TSHR (0.44) TSHRP2RX7ALDH1A1ALOX12GAA
SCHEMBL4991956 0.89 TSHR (0.43) TSHRP2RX7ALDH1A1ALOX12GAA
SCHEMBL4982742 0.88 TSHR (0.44) TSHRP2RX7ALDH1A1ALOX12GAA
SCHEMBL4983697 0.88 TSHR (0.47) TSHRP2RX7GAACYP2C19KMT2A
SCHEMBL4989503 0.88 TSHR (0.42) TSHRP2RX7ALDH1A1ALOX12GAA
SCHEMBL4988691 0.88 TSHR (0.42) TSHREPHX2P2RX7ALDH1A1ALOX12
SCHEMBL4992166 0.88 TSHR (0.42) TSHRP2RX7ALDH1A1ALOX12GAA
SCHEMBL4982991 0.86 TSHR (0.45) TSHRP2RX7ALDH1A1ALOX12GAA
SCHEMBL4993440 0.86 ABCB11 (0.45) TSHRP2RX7ALDH1A1ALOX12GAA

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 6 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
EP-1860942-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-05 EP claimed
WO-2006102610-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO claimed
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction RENOVIS, INC. 2006-09-28 US claimed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 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-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction PARK7, UACA, PTGER4 TSHR 2057/4885EPHX1 1197/4885EPHX2 437/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 TSHR 3850/4885EPHX1 337/4885EPHX2 569/4885

“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.