SCHEMBL177922

SCHEMBL177922

Cc1cccc2c1c(C(=O)CC1CCCCCC1)cn2CCO

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.50
CNR2 P34972 6/20 0.41
IL1B P01584 1/20 0.41
CNR1 P21554 10/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL14753817 0.86 P2RX7 (0.45) P2RX7CNR2IL1BCNR1SMN1; SMN2
SCHEMBL14736751 0.86 P2RX7 (0.50) P2RX7IL1B
SCHEMBL14750832 0.84 P2RX7 (0.43) P2RX7CNR2IL1BCNR1SMN1; SMN2
SCHEMBL1019863 0.84 P2RX7 (0.70) P2RX7IL1B
SCHEMBL1021245 0.82 P2RX7 (0.56) P2RX7CNR2IL1BCNR1
SCHEMBL1020461 0.82 P2RX7 (0.56) P2RX7CNR2IL1BCNR1
SCHEMBL14750830 0.81 P2RX7 (0.46) P2RX7SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL1019758 0.75 P2RX7 (0.58) P2RX7CNR2IL1BCNR1
SCHEMBL1018878 0.73 P2RX7 (0.56) P2RX7CNR2IL1BCNR1
SCHEMBL1018232 0.73 P2RX7 (0.50) P2RX7CNR2IL1B

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-20130060047-A1 NOVEL METHODS FOR THE PREPARATION OF P2X7R ANTAGONISTS AFFECTIS PHARMACEUTICALS AG (DE) 2013-03-07 US disclosed
US-20130060047-A1 NOVEL METHODS FOR THE PREPARATION OF P2X7R ANTAGONISTS AFFECTIS PHARMACEUTICALS AG (DE) 2013-03-07 US disclosed
US-20130060047-A1 NOVEL METHODS FOR THE PREPARATION OF P2X7R ANTAGONISTS AFFECTIS PHARMACEUTICALS AG (DE) 2013-03-07 US disclosed
EP-2386541-A1 Novel methods for the preparation of P2X7R antagonists Affectis Pharmaceuticals AG (DE) 2011-11-16 EP 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-20130060047-A1 NOVEL METHODS FOR THE PREPARATION OF P2X7R ANTAGONISTS P2RX7, P2RX3, P2RX2 P2RX7 1/4885CNR2 22/4885IL1B 1298/4885

“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.