Sugi Predict

Sugi Predict / Compounds / SCHEMBL2861797

SCHEMBL2861797

SCHEMBL2861797

O=C(NCc1cccc(C(F)(F)F)c1)C1(c2cccc(F)c2)CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.53
▸ ERCC1 P07992 1/20 0.53
▸ ERCC4 Q92889 1/20 0.53
▸ TRPV1 Q8NER1 1/20 0.52
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ MTOR P42345 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ MLYCD O95822 1/20 0.46
▸ P2RX7 Q99572 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PLA2G1B P04054 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ TDP1 Q9NUW8 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
SCHEMBL2860497 0.91 TRPV1 (0.54) TACR1ERCC1ERCC4TRPV1CYP3A4
SCHEMBL2858819 0.90 TACR1 (0.54) TACR1ERCC1ERCC4CYP3A4CYP2C19
SCHEMBL2879245 0.90 TACR1 (0.65) TACR1ERCC1ERCC4CYP3A4CYP2C19
SCHEMBL5352499 0.89 TRPV1 (0.47) TACR1ERCC1ERCC4TRPV1CYP3A4
SCHEMBL2867652 0.85 ERCC1 (0.57) TACR1ERCC1ERCC4TRPV1MEN1
SCHEMBL2858395 0.85 CYP3A4 (0.54) TACR1ERCC1ERCC4CYP3A4CYP2C19
SCHEMBL2861407 0.83 HDAC4 (0.51) TACR1ERCC1ERCC4CYP3A4CYP2C19
SCHEMBL2855010 0.82 TRPV1 (0.56) ERCC1ERCC4TRPV1MEN1KMT2A
SCHEMBL2864659 0.81 TACR1 (0.69) TACR1ERCC1ERCC4CYP3A4MTOR
SCHEMBL5345935 0.80 TRPA1 (0.48) TACR1CYP3A4CYP2C19CYP2C9TP53

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 2425/4885ERCC1 3164/4885ERCC4 3218/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 TACR1 2425/4885ERCC1 3164/4885ERCC4 3218/4885

“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.