SCHEMBL4036612

SCHEMBL4036612

CCN(C(=O)C1(Cc2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPRB P23467 1/20 0.43
PTPN11 Q06124 1/20 0.43
TACR1 P25103 1/20 0.42
TSHR P16473 2/20 0.40
AGTR2 P50052 1/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KDM1A O60341 1/20 0.40
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
TP53 P04637 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL2466715 0.92 MEN1 (0.42) MEN1KMT2ATACR1CNR1CNR2
SCHEMBL2473704 0.83 GPR119 (0.43) MEN1KMT2APTPRBPTPN11TACR1
SCHEMBL2185224 0.82 KDM1A (0.46) MEN1KMT2ATACR1TSHRALOX15
SCHEMBL2465494 0.79 TP53 (0.52) MEN1KMT2ATACR1TSHRALOX15
SCHEMBL5810960 0.79 HDAC2 (0.46) MEN1KMT2ATACR1OPRD1OPRK1
SCHEMBL378415 0.79 MEN1 (0.45) MEN1KMT2ATACR1TSHRALOX15
SCHEMBL3355644 0.79 KMT2A (0.52) MEN1KMT2A
SCHEMBL5674705 0.78 PKM (0.53) MEN1KMT2ACNR1CNR2KDM1A
SCHEMBL12491538 0.78 CNR1 (0.47) MEN1KMT2ATSHRALOX15ATM
SCHEMBL4634695 0.78 HDAC2 (0.48) MEN1KMT2ATACR1TSHRALOX15

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 MEN1 3501/4885KMT2A 957/4885PTPRB 1795/4885

“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.