SCHEMBL4992332

SCHEMBL4992332

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1ccc(Cl)c(F)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.38
POLB P06746 1/20 0.37
NR4A1 P22736 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MKNK1 Q9BUB5 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
SCHEMBL4988125 0.94 EPHX2 (0.41) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4980553 0.93 EPHX2 (0.41) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4988908 0.90 TSHR (0.41) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL14272517 0.90 TSHR (0.51) P2RX7TSHRALDH1A1EPHX2MAPT
SCHEMBL4982679 0.90 TSHR (0.43) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4988100 0.90 FAAH (0.41) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4988113 0.89 P2RX7 (0.50) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4990773 0.89 TSHR (0.38) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4983017 0.89 TSHR (0.41) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4984836 0.88 P2RX7 (0.41) P2RX7TSHREPHX2MAPT

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 4 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
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 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 (1 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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885TSHR 3850/4885ALDH1A1 3640/4885

“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.