SCHEMBL1590690

SCHEMBL1590690

Cc1ccc(C)c(C(=O)Nc2cccc3c(=O)n(C(O)C4CCCCC4)ccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.43
CCR8 P51685 9/20 0.39
P2RX7 Q99572 5/20 0.38
MAPT P10636 1/20 0.38
PARP1 P09874 1/20 0.37
LMNA P02545 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
SCHEMBL1590914 0.93 KMT2A (0.43) ACKR3CCR8P2RX7MAPTPARP1
SCHEMBL1591507 0.91 CCR8 (0.41) ACKR3CCR8P2RX7MAPTLMNA
SCHEMBL1590333 0.91 P2RX7 (0.40) P2RX7
SCHEMBL1591609 0.87 NPC1 (0.47) ACKR3CCR8MAPTLMNA
SCHEMBL1590675 0.87 CCR8 (0.41) ACKR3CCR8P2RX7MAPTPARP1
SCHEMBL1591751 0.85 ACKR3 (0.45) ACKR3CCR8P2RX7LMNA
SCHEMBL1590869 0.85 PARP14 (0.44) P2RX7MAPT
SCHEMBL1590939 0.85 TAS1R3 (0.42) CCR8P2RX7MAPTPARP1
SCHEMBL1590249 0.84 ALDH1A1 (0.40) ACKR3P2RX7MAPTLMNA
SCHEMBL1590972 0.84 CNR2 (0.46) MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US claimed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 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 (2 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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 ACKR3 136/4885CCR8 262/4885P2RX7 1/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 ACKR3 136/4885CCR8 262/4885P2RX7 1/4885

“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.