SCHEMBL2870236

SCHEMBL2870236

O=C(NCc1ccc(C(F)(F)F)cc1)C1(c2ccc(F)cc2)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.51
OPRL1 P41146 2/20 0.50
ERCC1 P07992 1/20 0.50
ERCC4 Q92889 1/20 0.50
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
TRPA1 O75762 4/20 0.48
KCNH2 Q12809 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47
HDAC1 Q13547 1/20 0.47
NPC1 O15118 1/20 0.46
MTOR P42345 1/20 0.45
THRB P10828 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL2858456 0.91 ERCC1 (0.58) OPRL1ERCC1ERCC4RAB9ASMN1; SMN2
SCHEMBL2859742 0.89 SMN1; SMN2 (0.58) TACR1OPRL1ERCC1ERCC4RAB9A
SCHEMBL2865854 0.89 TACR1 (0.64) TACR1OPRL1ERCC1ERCC4SMN1; SMN2
SCHEMBL2858819 0.87 TACR1 (0.54) TACR1OPRL1ERCC1ERCC4SMN1; SMN2
SCHEMBL2860497 0.86 TRPV1 (0.54) TACR1OPRL1ERCC1ERCC4MTOR
SCHEMBL2863340 0.85 KMT2A (0.55) OPRL1ERCC1ERCC4RAB9ASMN1; SMN2
SCHEMBL2854860 0.85 SMN1; SMN2 (0.62) OPRL1ERCC1ERCC4RAB9ASMN1; SMN2
SCHEMBL2861632 0.85 SMN1; SMN2 (0.62) OPRL1ERCC1ERCC4RAB9ASMN1; SMN2
SCHEMBL2861090 0.84 ERCC1 (0.68) TACR1OPRL1ERCC1ERCC4RAB9A
SCHEMBL2863174 0.81 HDAC4 (0.56) TACR1OPRL1ERCC1ERCC4SMN1; SMN2

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 TACR1 2425/4885OPRL1 1213/4885ERCC1 3164/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 TACR1 2425/4885OPRL1 1213/4885ERCC1 3164/4885

“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.