SCHEMBL1591751

SCHEMBL1591751

Cc1cc(Cl)ccc1C(=O)Nc1cccc2c(=O)n(C(O)C3CCCCC3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.45
CCR8 P51685 3/20 0.41
AVPR2 P30518 2/20 0.40
AVPR1A P37288 2/20 0.40
PYGL P06737 1/20 0.40
ABCB11 O95342 1/20 0.40
ADRB2 P07550 1/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
HTR2C P28335 1/20 0.40
HRH1 P35367 1/20 0.40
OPRM1 P35372 1/20 0.40
GLP1R P43220 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
F10 P00742 1/20 0.40
IRAK4 Q9NWZ3 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
SCHEMBL1591507 0.93 CCR8 (0.41) ACKR3CCR8PYGLIRAK4CNR2
SCHEMBL1590914 0.91 KMT2A (0.43) ACKR3CCR8PYGLP2RX7KDM4E
SCHEMBL1590249 0.88 ALDH1A1 (0.40) ACKR3LMNAP2RX7KDM4EALDH1A1
SCHEMBL1590939 0.87 TAS1R3 (0.42) CCR8PYGLP2RX7
SCHEMBL1590454 0.86 TP53 (0.44) PYGLF10CNR2LMNACNR1
SCHEMBL1590333 0.86 P2RX7 (0.40) PYGLCNR2CNR1P2RX7KDM4E
SCHEMBL1590972 0.86 CNR2 (0.46) CNR2CNR1KDM4ESMN1; SMN2NPSR1
SCHEMBL1590690 0.85 ACKR3 (0.43) ACKR3CCR8LMNAP2RX7
SCHEMBL1590675 0.85 CCR8 (0.41) ACKR3CCR8PYGLP2RX7
SCHEMBL1591093 0.84 LMNA (0.45) ACKR3CNR2LMNACNR1P2RX7

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 262/4885AVPR2 1701/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 ACKR3 136/4885CCR8 262/4885AVPR2 1701/4885

“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.