SCHEMBL2701136

SCHEMBL2701136

O=C(N1CCOCC1)N1CCC(Cc2ccccc2)(C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TSHR P16473 2/20 0.51
ALDH1A1 P00352 5/20 0.51
FKBP1A P62942 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MMP8 P22894 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL3485621 0.82 AVPR1A (0.44) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL2700969 0.80 CYP2D6 (0.58) CYP2C9CYP2C19TSHRALDH1A1KMT2A
SCHEMBL2467413 0.79 ALDH1A1 (0.45) AKR1C3CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL2702369 0.78 L3MBTL1 (0.54) TSHRALDH1A1KMT2AMEN1MAPT
SCHEMBL2702729 0.78 CHRM2 (0.59) CYP2C19TSHRALDH1A1KMT2AMEN1
SCHEMBL8707282 0.77 CYP2D6 (0.50) AKR1C3TSHRALDH1A1FKBP1AKMT2A
SCHEMBL923461 0.77 MAOA (0.48) ALDH1A1HTT
SCHEMBL2702754 0.76 NPC1 (0.63) TSHRALDH1A1FKBP1AKMT2AMEN1
SCHEMBL8710585 0.76 SMYD3 (0.54) CYP2C9CYP2C19TSHRALDH1A1FKBP1A
SCHEMBL2700943 0.75 KDM4E (0.48) ALDH1A1KMT2AMEN1

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 AKR1C3 1469/4885CYP2C9 2232/4885CYP2C19 3045/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 AKR1C3 1469/4885CYP2C9 2232/4885CYP2C19 3045/4885

“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.