SCHEMBL4038429

SCHEMBL4038429

Cc1cc(C(=O)N2CCC(Cc3ccccc3)(C(=O)O)CC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
TSHR P16473 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
CHRM2 P08172 3/20 0.44
CHRM3 P20309 2/20 0.44
PKLR P30613 1/20 0.44
CYP46A1 Q9Y6A2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
NAMPT P43490 1/20 0.43
POLB P06746 1/20 0.42
PROKR1 Q8TCW9 1/20 0.42

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
SCHEMBL2699832 0.84 ALDH1A1 (0.48) KMT2AMEN1CHRM2CHRM3PKLR
SCHEMBL2703917 0.83 CYP3A4 (0.63) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL2702729 0.82 CHRM2 (0.59) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL2701101 0.82 GABRD (0.51) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL2702453 0.79 CHRM2 (0.66) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL2702731 0.78 L3MBTL1 (0.60) KMT2AMEN1CYP3A4CYP2D6CYP2C19
SCHEMBL3420497 0.77 KDM4E (0.55) KMT2AMEN1ALDH1A1LMNANAMPT
SCHEMBL2701104 0.77 L3MBTL1 (0.46) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL21212527 0.77 PROKR1 (0.51) CYP3A4CYP2D6CYP2C19TSHRPKLR
SCHEMBL2700039 0.77 PKLR (0.57) KMT2AMEN1CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 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 (1 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 KMT2A 957/4885MEN1 3501/4885CYP3A4 1607/4885

“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.