SCHEMBL2867652

SCHEMBL2867652

O=C(NCc1ccc(F)cc1)C1(c2cccc(F)c2)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.57
ERCC4 Q92889 1/20 0.57
TRPV1 Q8NER1 1/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
KMT2A Q03164 1/20 0.53
P2RX7 Q99572 1/20 0.52
LMNA P02545 3/20 0.47
TSHR P16473 1/20 0.47
OPRL1 P41146 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
HDAC4 P56524 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
METAP2 P50579 1/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL2855010 0.91 TRPV1 (0.56) ERCC1ERCC4TRPV1MEN1TP53
SCHEMBL2860497 0.89 TRPV1 (0.54) ERCC1ERCC4TRPV1MEN1TP53
SCHEMBL2861090 0.88 ERCC1 (0.68) ERCC1ERCC4KMT2ALMNATSHR
SCHEMBL2858456 0.86 ERCC1 (0.58) ERCC1ERCC4MEN1KMT2ALMNA
SCHEMBL2861797 0.85 TACR1 (0.53) ERCC1ERCC4TRPV1MEN1TP53
SCHEMBL19273223 0.81 OPRL1 (0.60) ERCC1ERCC4KMT2ALMNATSHR
SCHEMBL2863340 0.81 KMT2A (0.55) ERCC1ERCC4MEN1TP53KMT2A
SCHEMBL2854860 0.81 SMN1; SMN2 (0.62) ERCC1ERCC4MEN1KMT2AOPRL1
SCHEMBL2861632 0.81 SMN1; SMN2 (0.62) ERCC1ERCC4MEN1KMT2AOPRL1
SCHEMBL14491548 0.80 ERCC1 (0.50) ERCC1ERCC4TRPV1MEN1TP53

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 8 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
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 ERCC1 3164/4885ERCC4 3218/4885TRPV1 94/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 ERCC1 3164/4885ERCC4 3218/4885TRPV1 94/4885

“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.