SCHEMBL4986137

SCHEMBL4986137

Cc1ccc(CN2CCc3c(ncnc3NC(=O)CC34CC5CC(CC(C5)C3)C4)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
P2RX7 Q99572 7/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4982547 0.93 TSHR (0.43) TSHRP2RX7ALDH1A1LMNASMN1; SMN2
SCHEMBL4988113 0.92 P2RX7 (0.50) TSHRP2RX7ALDH1A1LMNASMN1; SMN2
SCHEMBL4982679 0.91 TSHR (0.43) TSHRP2RX7ALDH1A1LMNASMN1; SMN2
SCHEMBL4983637 0.91 P2RX7 (0.47) TSHRP2RX7ALDH1A1LMNASMN1; SMN2
SCHEMBL4985148 0.91 TSHR (0.41) TSHRP2RX7ALDH1A1LMNASMN1; SMN2
SCHEMBL4988614 0.91 TSHR (0.41) TSHRP2RX7ALDH1A1LMNASMN1; SMN2
SCHEMBL4985490 0.91 P2RX7 (0.48) TSHRP2RX7ALDH1A1LMNASMN1; SMN2
SCHEMBL4992388 0.91 ALDH1A1 (0.46) TSHRP2RX7ALDH1A1LMNASMN1; SMN2
SCHEMBL4988515 0.90 SMN1; SMN2 (0.47) TSHRP2RX7ALDH1A1LMNASMN1; SMN2
SCHEMBL4992198 0.90 CA12 (0.41) TSHRP2RX7ALDH1A1LMNASMN1; 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 TSHR 3850/4885P2RX7 1/4885ALDH1A1 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.