SCHEMBL2864930

SCHEMBL2864930

COCC(=O)NCC1(Cc2ccccc2)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 7/20 0.52
NPFFR2 Q9Y5X5 7/20 0.52
OPRK1 P41145 1/20 0.46
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MC4R P32245 1/20 0.42
THRB P10828 1/20 0.42
ADRB2 P07550 1/20 0.41
HTT P42858 1/20 0.41
SPR P35270 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL2877082 0.83 NPFFR1 (0.56) NPFFR1NPFFR2OPRK1ALDH1A1MEN1
SCHEMBL2861728 0.82 MAPT (0.60) NPFFR1NPFFR2RAB9AALDH1A1NPC1
SCHEMBL2863163 0.81 MEN1 (0.65) NPFFR1NPFFR2OPRK1RAB9AALDH1A1
SCHEMBL9146667 0.80 OPRM1 (0.50) NPFFR1NPFFR2OPRK1RAB9AALDH1A1
SCHEMBL2861616 0.78 LMNA (0.58) NPFFR1NPFFR2OPRK1RAB9AALDH1A1
SCHEMBL2856026 0.78 MEN1 (0.65) ALDH1A1MEN1KMT2ATHRB
SCHEMBL9350520 0.77 OPRM1 (0.50) NPFFR1NPFFR2OPRK1RAB9AALDH1A1
SCHEMBL2875659 0.77 ALDH1A1 (0.57) NPFFR1NPFFR2OPRK1RAB9AALDH1A1
SCHEMBL2867565 0.77 NPC1 (0.57) RAB9AALDH1A1NPC1MEN1KMT2A
Acetic Acid SCHEMBL1046385 0.76 SYK (0.46) NPFFR1NPFFR2ALDH1A1KMT2A

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 9 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
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-20050234106-A1 Cycloalkyl inhibitors of potassium channel function LLOYD JOHN 2005-10-20 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 (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-20050234106-A1 Cycloalkyl inhibitors of potassium channel function KCNJ2, KCNN3, KCNQ5 NPFFR1 1718/4885NPFFR2 1962/4885OPRK1 366/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 NPFFR1 1718/4885NPFFR2 1962/4885OPRK1 366/4885

“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.