SCHEMBL3095648

SCHEMBL3095648

N#Cc1ccc(N2CCN(C(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
TET3 O43151 2/20 0.51
FBXL19 Q6PCT2 2/20 0.51
CXXC5 Q7LFL8 2/20 0.51
KDM2B Q8NHM5 2/20 0.51
CXXC4 Q9H2H0 2/20 0.51
KDM2A Q9Y2K7 2/20 0.51
TET1 Q8NFU7 1/20 0.51
CHRM4 P08173 1/20 0.47
POLB P06746 1/20 0.46
AKR1C3 P42330 4/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
NAMPT P43490 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
PANK3 Q9H999 1/20 0.42
AKR1C1 Q04828 1/20 0.42
FAAH O00519 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
SCHEMBL3087224 0.87 KMT2A (0.61) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL3097422 0.84 NPSR1 (0.61) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL3092711 0.84 AKR1C3 (0.57) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL3092705 0.84 AKR1C3 (0.58) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL3091785 0.83 CHRM4 (0.51) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL13092512 0.83 PIN1 (0.47) KMT2ACHRM4PANK3
SCHEMBL3098112 0.82 KMT2A (0.52) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL3104324 0.80 OPRD1 (0.51) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL378652 0.79 AKR1C3 (0.59) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL3104354 0.77 SLC6A7 (0.54) KMT2ATET3FBXL19CXXC5KDM2B

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-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 KMT2A 1488/4885TET3 3957/4885FBXL19 3972/4885

“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.