SCHEMBL5838172

SCHEMBL5838172

Cc1cn(-c2ccc(Cl)c(C(=O)NC(O)C3CCCCCC3)c2)c(=O)n1CC(=O)NC1CCNC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
P2RY12 Q9H244 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CNR2 P34972 3/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 3/20 0.33
CNR1 P21554 2/20 0.33
KCNH2 Q12809 1/20 0.32
NLRP3 Q96P20 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
MAPT P10636 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5838492 0.95 ALDH1A1 (0.37) P2RX7ALDH1A1KDM4EPOLBHPGD
SCHEMBL5838688 0.95 P2RX7 (0.39) P2RX7ALDH1A1KDM4EPOLBHPGD
SCHEMBL6259712 0.93 P2RY12 (0.34) P2RX7P2RY12ALDH1A1KDM4EPOLB
SCHEMBL5838229 0.88 KMT2A (0.38) P2RX7ALDH1A1KDM4EPOLBHPGD
SCHEMBL5957156 0.87 P2RX7 (0.38) P2RX7ALDH1A1KDM4EPOLBHPGD
SCHEMBL5838879 0.86 P2RX7 (0.36) P2RX7ALDH1A1KDM4EPOLBHPGD
SCHEMBL5837231 0.86 P2RX7 (0.39) P2RX7CNR2TAAR1KMT2ACNR1
SCHEMBL5838984 0.86 CNR1 (0.38) P2RX7P2RY12CNR2CNR1KCNH2
SCHEMBL5837998 0.85 P2RX7 (0.37) P2RX7P2RY12ALDH1A1KDM4EPOLB
SCHEMBL5837096 0.85 P2RX7 (0.39) P2RX7POLBCNR2TP53CNR1

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 2 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

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 7/4885P2RY12 35/4885ALDH1A1 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.