SCHEMBL2701792

SCHEMBL2701792

O=C(c1cc(F)c(F)cc1F)N1CCC(Cc2ccccc2)(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.46
CYP46A1 Q9Y6A2 9/20 0.46
CNR1 P21554 2/20 0.46
MGLL Q99685 2/20 0.45
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPK14 Q16539 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2D6 P10635 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL2469262 0.80 ALDH1A1 (0.40) CYP46A1MGLLALDH1A1SMN1; SMN2
SCHEMBL2702729 0.80 CHRM2 (0.59) AVPR1ACYP2C19ALDH1A1CYP2D6CYP3A4
SCHEMBL2702158 0.80 KMT2A (0.50) CYP2C19ALDH1A1CYP2D6MAPK1CYP3A4
SCHEMBL3485621 0.78 AVPR1A (0.44) AVPR1ACYP46A1ALDH1A1CYP2D6MAPK1
SCHEMBL2700969 0.76 CYP2D6 (0.58) CYP2C9CYP2C19ALDH1A1CYP2D6MAPK1
SCHEMBL2703917 0.75 CYP3A4 (0.63) CYP46A1CYP2C9CYP2C19ALDH1A1CYP2D6
SCHEMBL2702781 0.75 ALDH1A1 (0.44) AVPR1ACYP46A1CYP2C9CYP2C19ALDH1A1
SCHEMBL2701589 0.75 CYP46A1 (0.53) AVPR1ACYP46A1CYP2C9CYP2C19ALDH1A1
SCHEMBL2700039 0.74 PKLR (0.57) MGLLCYP2C19ALDH1A1CYP2D6CYP3A4
SCHEMBL2701101 0.74 GABRD (0.51) AVPR1ACYP2C19ALDH1A1CYP2D6CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 US disclosed
US-20060014792-A1 Heterocyclo inhibitors of potassium channel function LLOYD JOHN 2006-01-19 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-20060014792-A1 Heterocyclo inhibitors of potassium channel function KCNJ2, KCNH2, KCNQ5 AVPR1A 2965/4885CYP46A1 4341/4885CNR1 1175/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 AVPR1A 2965/4885CYP46A1 4341/4885CNR1 1175/4885

“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.