Sugi Predict

Sugi Predict / Compounds / SCHEMBL4986178

SCHEMBL4986178

SCHEMBL4986178

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(C(=O)c1ccc(C(F)(F)F)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR55 Q9Y2T6 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ EPHX2 P34913 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ P2RX7 Q99572 3/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL4985176 0.92 GPR55 (0.42) GPR55ABCB11TSHRALDH1A1ALOX12
SCHEMBL4982846 0.91 GRM5 (0.41) GPR55ABCB11EPHX2TSHRALDH1A1
SCHEMBL4988553 0.90 SMN1; SMN2 (0.43) GPR55ABCB11EPHX2TSHRALDH1A1
SCHEMBL4991412 0.90 P2RX7 (0.45) ABCB11EPHX2P2RX7TRPV1
SCHEMBL4988270 0.89 EPHX2 (0.39) ABCB11EPHX2TSHRP2RX7
SCHEMBL13532459 0.89 EPHX2 (0.39) EPHX2TSHRMKNK2P2RX7TRPV1
SCHEMBL4983774 0.89 P2RX7 (0.49) GPR55ABCB11TSHRALDH1A1ALOX12
SCHEMBL4993440 0.89 ABCB11 (0.45) GPR55ABCB11TSHRALDH1A1ALOX12
SCHEMBL4986247 0.89 P2RX7 (0.47) ABCB11TSHRALDH1A1ALOX12P2RX7
SCHEMBL4989647 0.89 TSHR (0.37) ABCB11EPHX2TSHRALDH1A1ALOX12

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
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

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 GPR55 292/4885ABCB11 4125/4885EPHX2 437/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 GPR55 94/4885ABCB11 933/4885EPHX2 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.