Sugi Predict

Sugi Predict / Compounds / SCHEMBL2861407

SCHEMBL2861407

SCHEMBL2861407

O=C(NCc1cccc(C(F)(F)F)c1)C1(c2ccccc2F)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.51
▸ OPRL1 P41146 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ TACR1 P25103 1/20 0.49
▸ PLA2G1B P04054 2/20 0.48
▸ ATG4B Q9Y4P1 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ ERCC1 P07992 1/20 0.48
▸ ERCC4 Q92889 1/20 0.48
▸ MLYCD O95822 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46

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
SCHEMBL5355699 0.89 HDAC4 (0.49) HDAC4OPRL1CYP3A4CYP2C19CYP2C9
SCHEMBL2863174 0.89 HDAC4 (0.56) HDAC4OPRL1CYP3A4TACR1ERCC1
SCHEMBL2879245 0.86 TACR1 (0.65) HDAC4CYP3A4CYP2C19CYP2C9TACR1
SCHEMBL2858819 0.84 TACR1 (0.54) OPRL1CYP3A4CYP2C19CYP2C9TACR1
SCHEMBL2861797 0.83 TACR1 (0.53) CYP3A4CYP2C19CYP2C9TACR1PLA2G1B
SCHEMBL2858395 0.81 CYP3A4 (0.54) HDAC4CYP3A4CYP2C19CYP2C9TACR1
SCHEMBL2863230 0.81 HDAC4 (0.61) HDAC4OPRL1CYP2C19ERCC1ERCC4
SCHEMBL2858831 0.79 HDAC4 (0.58) HDAC4OPRL1ERCC1ERCC4LMNA
SCHEMBL5349800 0.76 SMN1; SMN2 (0.55) HDAC4CYP3A4CYP2C19TACR1ERCC1
SCHEMBL2864659 0.76 TACR1 (0.69) HDAC4CYP3A4TACR1ERCC1ERCC4

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 6 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-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 HDAC4 1442/4885OPRL1 1213/4885CYP3A4 2530/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 HDAC4 1442/4885OPRL1 1213/4885CYP3A4 2530/4885

“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.