SCHEMBL2870655

SCHEMBL2870655

O=C(NCC1(Cc2ccccc2)CCCCC1)c1cccnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.47
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 1/20 0.45
NPFFR1 Q9GZQ6 1/20 0.44
NPFFR2 Q9Y5X5 1/20 0.44
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
NSD2 O96028 1/20 0.41

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
SCHEMBL2861616 0.80 LMNA (0.58) P2RX7POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL2856026 0.77 MEN1 (0.65) P2RX7ALDH1A1HPGD
SCHEMBL2858583 0.77 P2RX7 (0.46) P2RX7POLBALDH1A1LMNANPFFR1
SCHEMBL2856050 0.77 SLC6A9 (0.52) P2RX7ALDH1A1LMNANPFFR1NPFFR2
SCHEMBL5462309 0.77 TP53 (0.62) P2RX7SMN1; SMN2ALDH1A1LMNANPFFR1
SCHEMBL920392 0.76 NSD2 (0.66) POLBSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL5355428 0.75 NPFFR1 (0.44) P2RX7SMN1; SMN2ALDH1A1LMNANPFFR1
SCHEMBL2853482 0.75 MEN1 (0.55) POLBSMN1; SMN2ALDH1A1LMNANPFFR1
SCHEMBL2857884 0.74 ALDH1A1 (0.44) ALDH1A1NPFFR1NPFFR2GAAMAPT
SCHEMBL31117695 0.73 P2RX7 (0.43) P2RX7POLBSMN1; SMN2ALDH1A1LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP disclosed
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 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-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 P2RX7 930/4885POLB 4024/4885SMN1; SMN2 4281/4885

“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.