SCHEMBL1590675

SCHEMBL1590675

Cc1cccc(C(=O)Nc2cccc3c(=O)n(C(O)C4CCCCC4)ccc23)c1C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 11/20 0.41
ACKR3 P25106 1/20 0.41
PARP1 P09874 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
PYGL P06737 1/20 0.40
MAOB P27338 1/20 0.39
P2RX7 Q99572 2/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1590939 0.91 TAS1R3 (0.42) CCR8PARP1TAS1R3TAS1R1TAS1R2
SCHEMBL1590690 0.87 ACKR3 (0.43) CCR8ACKR3PARP1P2RX7MAPT
SCHEMBL1590914 0.87 KMT2A (0.43) CCR8ACKR3PARP1PYGLP2RX7
SCHEMBL1591507 0.85 CCR8 (0.41) CCR8ACKR3PYGLP2RX7MAPT
SCHEMBL1591751 0.85 ACKR3 (0.45) CCR8ACKR3PYGLP2RX7
SCHEMBL1590249 0.84 ALDH1A1 (0.40) ACKR3P2RX7MAPT
SCHEMBL1590333 0.83 P2RX7 (0.40) TAS1R3TAS1R1PYGLP2RX7
SCHEMBL1591609 0.83 NPC1 (0.47) CCR8ACKR3MAPT
SCHEMBL1590600 0.82 P2RX7 (0.44) P2RX7
SCHEMBL1590776 0.82 RAB9A (0.47) CCR8ACKR3P2RX7MAPT

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 CCR8 262/4885ACKR3 136/4885PARP1 1754/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 CCR8 262/4885ACKR3 136/4885PARP1 1754/4885

“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.