SCHEMBL4989666

SCHEMBL4989666

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(S(=O)(=O)c1ccc3oc(=O)ccc3c1)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 1/20 0.38
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
P2RX7 Q99572 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
EPHX2 P34913 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL14272392 0.89 TSHR (0.47) SMN1; SMN2HTTCA9CA12GAA
SCHEMBL4982801 0.89 CA12 (0.41) HTTCA9CA12P2RX7GAA
SCHEMBL13532338 0.88 SMN1; SMN2 (0.43) SMN1; SMN2HTTKMT2A
SCHEMBL4988078 0.84 P2RX7 (0.43) SMN1; SMN2CA9CA12P2RX7KMT2A
SCHEMBL4982810 0.84 P2RX7 (0.47) CA9CA12P2RX7GAAKDM4E
SCHEMBL4984958 0.84 RAB9A (0.42) CA9CA12GAAALDH1A1TSHR
SCHEMBL5014908 0.84 KMT2A (0.43) CA9CA12P2RX7KMT2ATSHR
SCHEMBL4989548 0.83 CA12 (0.42) CA9CA12P2RX7ALDH1A1KMT2A
SCHEMBL4985280 0.83 P2RX7 (0.43) CA9CA12P2RX7KMT2ATSHR
SCHEMBL4985374 0.83 P2RX7 (0.47) SMN1; SMN2HTTCA9CA12P2RX7

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 7 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
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US 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 SMN1; SMN2 1922/4885HTT 913/4885CA9 1666/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 SMN1; SMN2 4369/4885HTT 4422/4885CA9 4085/4885

“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.