SCHEMBL4987983

SCHEMBL4987983

Nc1ncnc2c1CCN(CC1CCCC1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.41
HRH3 Q9Y5N1 4/20 0.40
FAAH O00519 1/20 0.36
CHRM5 P08912 1/20 0.35
ADRA2C P18825 1/20 0.35
LIMK1 P53667 1/20 0.34
PDE8B O95263 1/20 0.33
CFTR P13569 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
OPRL1 P41146 2/20 0.33
HRH1 P35367 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
DGAT1 O75907 1/20 0.33
PKM P14618 1/20 0.33
LCK P06239 1/20 0.32
RET P07949 1/20 0.32
SRC P12931 1/20 0.32
AXL P30530 1/20 0.32

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
SCHEMBL4982554 0.99 BRS3 (0.42) BRS3HRH3FAAHCHRM5ADRA2C
SCHEMBL4983874 0.94 PIK3CA (0.36) BRS3HRH3LIMK1PIK3R1PIK3CA
SCHEMBL4989502 0.78 RAD52 (0.42) HRH3LIMK1
SCHEMBL4988261 0.76 ADORA2A (0.51) FAAHHRH1DGAT1
SCHEMBL4985387 0.75 DRD2 (0.43) LIMK1
SCHEMBL4974938 0.74 HRH3 (0.46) BRS3HRH3CFTRHRH1
SCHEMBL4986780 0.74 PI4KA (0.39) BRS3LIMK1
SCHEMBL4982881 0.74 KMT2A (0.43) HRH3FAAHAXLMERTK
SCHEMBL4987211 0.74 KMT2A (0.43) HRH3FAAHAXLMERTK
SCHEMBL4982529 0.74 ALDH1A1 (0.42) FAAH

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 BRS3 380/4885HRH3 1013/4885FAAH 494/4885

“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.