SCHEMBL1590914

SCHEMBL1590914

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
ACKR3 P25106 1/20 0.43
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
MCL1 Q07820 1/20 0.40
CCR8 P51685 6/20 0.39
P2RX7 Q99572 4/20 0.38
PYGL P06737 1/20 0.38
PARP1 P09874 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
SCHEMBL1590690 0.93 ACKR3 (0.43) ACKR3MAPTCCR8P2RX7PARP1
SCHEMBL1591751 0.91 ACKR3 (0.45) ACKR3KDM4EALDH1A1CCR8P2RX7
SCHEMBL1590249 0.89 ALDH1A1 (0.40) KMT2AACKR3MAPTKDM4EALDH1A1
SCHEMBL1590333 0.89 P2RX7 (0.40) KDM4EALDH1A1P2RX7PYGL
SCHEMBL1590675 0.87 CCR8 (0.41) ACKR3MAPTCCR8P2RX7PYGL
SCHEMBL1591609 0.87 NPC1 (0.47) KMT2AACKR3MAPTALDH1A1CCR8
SCHEMBL1591507 0.85 CCR8 (0.41) KMT2AACKR3MAPTCCR8P2RX7
SCHEMBL1590939 0.85 TAS1R3 (0.42) MAPTCCR8P2RX7PYGLPARP1
SCHEMBL1590972 0.84 CNR2 (0.46) MAPTKDM4E
SCHEMBL1590454 0.84 TP53 (0.44) KMT2AKDM4EP2RX7PYGL

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 KMT2A 4614/4885ACKR3 136/4885MAPT 4477/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885ACKR3 136/4885MAPT 4477/4885

“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.