SCHEMBL5837880

SCHEMBL5837880

O=C(Cn1ccn(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)c1=O)NC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.38
TSHR P16473 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
CNR1 P21554 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5837998 0.95 P2RX7 (0.37) P2RX7TSHRALDH1A1KDM4EHSD17B10
SCHEMBL5837720 0.93 P2RX7 (0.41) P2RX7TSHRALDH1A1HPGDHTT
SCHEMBL5837923 0.90 KMT2A (0.40) P2RX7TSHRALDH1A1HTTSMYD3
SCHEMBL5838235 0.87 P2RX7 (0.36) P2RX7HTTSMYD3CNR1RXFP1
SCHEMBL6259712 0.87 P2RY12 (0.34) P2RX7ALDH1A1KDM4EHSD17B10POLB
SCHEMBL5837800 0.86 P2RX7 (0.40) P2RX7TSHRCNR1CNR2
SCHEMBL5838636 0.85 P2RX7 (0.40) P2RX7HPGDSMYD3CNR1CNR2
SCHEMBL5957141 0.85 P2RX7 (0.47) P2RX7TSHRALDH1A1HTTCNR1
SCHEMBL5838492 0.85 ALDH1A1 (0.37) P2RX7TSHRALDH1A1KDM4EHSD17B10
SCHEMBL5837167 0.83 P2RX7 (0.39) P2RX7TSHRKDM4EHPGDSMYD3

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-20060217430-A1 Benzamide inhibitors of the P2X7 receptor DOMBROSKI MARK A 2006-09-28 US disclosed
US-7071223-B1 Benzamide inhibitors of the P2X7 receptor PFIZER, INC. (US) 2006-07-04 US disclosed
EP-1581507-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR Pfizer Products Inc. (US) 2005-10-05 EP disclosed
WO-2004058731-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR PFIZER PRODUCTS INC. (US) 2004-07-15 WO 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-20060217430-A1 Benzamide inhibitors of the P2X7 receptor IL1R1, P2RY1, P2RX1 P2RX7 7/4885TSHR 412/4885ALDH1A1 365/4885

“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.