SCHEMBL4992228

SCHEMBL4992228

Nc1ncnc2c1CCN(C(=O)CCc1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.48
FKBP1A P62942 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 2/20 0.44
ENPP2 Q13822 3/20 0.43
ME2 P23368 2/20 0.43
ME1 P48163 2/20 0.43
ME3 Q16798 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAAA Q02083 1/20 0.42
GRIN2B Q13224 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41

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
SCHEMBL4989360 0.88 NPC1 (0.46) NPC1ALDH1A1ME2ME1ME3
SCHEMBL4988637 0.83 GRM5 (0.48) ALDH1A1PTGDR2
SCHEMBL4980953 0.81 MEN1 (0.53) NPC1TDP1ALDH1A1POLBME2
SCHEMBL4985624 0.79 P2RX7 (0.49) ALDH1A1
SCHEMBL4984698 0.79 F12 (0.42) NPC1
SCHEMBL4984972 0.77 RAB9A (0.38) NPC1TDP1ALDH1A1
SCHEMBL4982529 0.77 ALDH1A1 (0.42) ALDH1A1ENPP2
SCHEMBL4986049 0.77 POLB (0.45) NPC1ALDH1A1POLBENPP2ME2
SCHEMBL4989572 0.76 P2RX7 (0.44) ALDH1A1TSHR
SCHEMBL14272299 0.76 TSHR (0.53) NPC1TDP1GPBAR1POLBENPP2

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 2 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

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 NPC1 2233/4885TDP1 2440/4885GPBAR1 57/4885

“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.