SCHEMBL4988100

SCHEMBL4988100

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
P2RX7 Q99572 8/20 0.39
TSHR P16473 1/20 0.38
KDR P35968 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CSF1R P07333 3/20 0.37
AR P10275 2/20 0.37
SCD O00767 1/20 0.37
CCR3 P51677 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
SCHEMBL4992107 0.92 EPHX2 (0.39) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4990773 0.90 TSHR (0.38) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4992332 0.90 P2RX7 (0.41) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4985518 0.89 TSHR (0.41) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4988125 0.88 EPHX2 (0.41) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4988113 0.87 P2RX7 (0.50) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4982679 0.86 TSHR (0.43) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4986930 0.86 SIGMAR1 (0.41) FAAHP2RX7TSHRKDRSMN1; SMN2
SCHEMBL5011770 0.86 P2RX7 (0.42) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4980553 0.86 EPHX2 (0.41) P2RX7TSHRALDH1A1LMNASMN1; SMN2

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 FAAH 494/4885P2RX7 1/4885TSHR 3850/4885

“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.