SCHEMBL4989647

SCHEMBL4989647

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(C(=O)c1cc(F)cc(C(F)(F)F)c1)C2

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ABCB11 O95342 1/20 0.36
KMT2A Q03164 2/20 0.34
GLA P06280 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX12 P18054 1/20 0.34
GPR52 Q9Y2T5 2/20 0.34
AR P10275 1/20 0.34
JAK2 O60674 2/20 0.33
P2RX7 Q99572 2/20 0.33
GRM5 P41594 1/20 0.33
EPHX2 P34913 1/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
NR4A1 P22736 1/20 0.33

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
SCHEMBL4991412 0.89 P2RX7 (0.45) ABCB11P2RX7GRM5EPHX2POLB
SCHEMBL13532494 0.89 GRM5 (0.36) TSHRGPR52ARJAK2P2RX7
SCHEMBL4986178 0.89 GPR55 (0.40) TSHRABCB11ALDH1A1ALOX12P2RX7
SCHEMBL14272320 0.89 TSHR (0.50) TSHRGPR52P2RX7GRM5
SCHEMBL4984781 0.86 GRM5 (0.44) TSHRABCB11ALDH1A1ALOX12P2RX7
SCHEMBL4982846 0.86 GRM5 (0.41) TSHRABCB11ALDH1A1ALOX12P2RX7
SCHEMBL4988094 0.85 EPHX2 (0.37) TSHRALDH1A1ALOX12P2RX7EPHX2
SCHEMBL4983029 0.84 P2RX7 (0.42) TSHRABCB11KMT2AGLAALDH1A1
SCHEMBL4988666 0.84 TSHR (0.37) TSHRALDH1A1GPR52AREPHX2
SCHEMBL4988075 0.84 ABCB11 (0.43) TSHRABCB11ALDH1A1ALOX12P2RX7

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 TSHR 2057/4885ABCB11 4125/4885KMT2A 3134/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 TSHR 3850/4885ABCB11 933/4885KMT2A 4614/4885

“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.