SCHEMBL2701101

SCHEMBL2701101

Cc1ccc(C(=O)N2CCC(Cc3ccccc3)(C(=O)O)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRD O14764 1/20 0.51
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51
GABRB2 P47870 1/20 0.51
GABRA4 P48169 1/20 0.51
CHRM2 P08172 2/20 0.51
CHRM3 P20309 2/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 2/20 0.49
CYP2D6 P10635 2/20 0.48
TSHR P16473 2/20 0.48
KCNA5 P22460 1/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 3/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL2702729 0.90 CHRM2 (0.59) CHRM2CHRM3KMT2AMEN1CYP2D6
SCHEMBL2702158 0.87 KMT2A (0.50) CHRM2CHRM3KMT2AMEN1CYP2D6
SCHEMBL2700039 0.87 PKLR (0.57) CHRM2CHRM3KMT2AMEN1LMNA
SCHEMBL2703917 0.85 CYP3A4 (0.63) CHRM2CHRM3KMT2AMEN1CYP2D6
SCHEMBL2699832 0.84 ALDH1A1 (0.48) CHRM2CHRM3KMT2AMEN1LMNA
SCHEMBL4038429 0.82 KMT2A (0.48) CHRM2CHRM3KMT2AMEN1LMNA
SCHEMBL8801014 0.81 CYP2D6 (0.60) KMT2AMEN1MAPTLMNACYP2D6
SCHEMBL2470282 0.80 ALDH1A1 (0.48) CHRM2CHRM3KMT2AMEN1MAPT
SCHEMBL2700969 0.80 CYP2D6 (0.58) KMT2AMEN1LMNACYP2D6TSHR
SCHEMBL3485621 0.80 AVPR1A (0.44) CHRM2CHRM3KMT2AMEN1MAPT

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 GABRD 519/4885GABRA1 325/4885GABRB1 217/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 GABRD 519/4885GABRA1 325/4885GABRB1 217/4885

“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.