SCHEMBL4988515

SCHEMBL4988515

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1ccncc1)C2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HSD11B1 P28845 1/20 0.43
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.41
PTPN1 P18031 1/20 0.41
P2RX7 Q99572 6/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SPHK2 Q9NRA0 1/20 0.37

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
SCHEMBL4983637 0.92 P2RX7 (0.47) SMN1; SMN2HSD11B1MEN1USP2KMT2A
SCHEMBL4988113 0.91 P2RX7 (0.50) SMN1; SMN2MEN1USP2KMT2ATSHR
SCHEMBL4982547 0.90 TSHR (0.43) SMN1; SMN2MEN1USP2KMT2ATSHR
SCHEMBL4986137 0.90 TSHR (0.43) SMN1; SMN2TSHRP2RX7ALDH1A1LMNA
SCHEMBL4982679 0.90 TSHR (0.43) SMN1; SMN2USP2TSHRP2RX7ALDH1A1
SCHEMBL4985518 0.90 TSHR (0.41) SMN1; SMN2TSHRP2RX7ALDH1A1LMNA
SCHEMBL4992206 0.90 MEN1 (0.51) SMN1; SMN2HSD11B1MEN1USP2KMT2A
SCHEMBL14272516 0.88 TSHR (0.56) HSD11B1MEN1KMT2ATSHRPTPN1
SCHEMBL4988614 0.88 TSHR (0.41) SMN1; SMN2MEN1USP2KMT2ATSHR
SCHEMBL5011770 0.88 P2RX7 (0.42) SMN1; SMN2MEN1KMT2ATSHRP2RX7

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 SMN1; SMN2 4369/4885HSD11B1 3494/4885MEN1 4853/4885

“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.