SCHEMBL5145709

SCHEMBL5145709

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(C(=O)c1ccc(Cl)nc1)C2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
P2RX7 Q99572 7/20 0.42
ABCB11 O95342 1/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.39
NR4A1 P22736 1/20 0.39
GPR55 Q9Y2T6 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4983774 0.91 P2RX7 (0.49) P2RX7ABCB11TSHRPOLBNR4A1
SCHEMBL4988962 0.89 ABCB11 (0.43) HPGDP2RX7ABCB11TSHRPOLB
SCHEMBL4986894 0.89 ABCB11 (0.41) P2RX7ABCB11TSHRPOLBNR4A1
SCHEMBL13532522 0.89 HPGD (0.46) HPGDP2RX7TSHRRAB9A
SCHEMBL4982846 0.88 GRM5 (0.41) P2RX7ABCB11TSHRGPR55ALDH1A1
SCHEMBL4983029 0.88 P2RX7 (0.42) P2RX7ABCB11TSHRPOLBNR4A1
SCHEMBL4993440 0.88 ABCB11 (0.45) P2RX7ABCB11TSHRGPR55ALDH1A1
SCHEMBL4988553 0.88 SMN1; SMN2 (0.43) P2RX7ABCB11TSHRGPR55MEN1
SCHEMBL4986247 0.88 P2RX7 (0.47) P2RX7ABCB11TSHRMEN1USP2
SCHEMBL14272334 0.88 TSHR (0.54) HPGDP2RX7TSHRALDH1A1RAB9A

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
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 HPGD 198/4885P2RX7 1619/4885ABCB11 4125/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 HPGD 368/4885P2RX7 1/4885ABCB11 933/4885

“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.