SCHEMBL4005186

SCHEMBL4005186

O=C(N[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)N1[C@@H]2CC[C@H]1C[C@@H](O)C2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.58
S100A4 P26447 1/20 0.56
TRPV1 Q8NER1 8/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
CA12 O43570 10/20 0.49
CA1 P00915 10/20 0.49
CA2 P00918 10/20 0.49
CA4 P22748 10/20 0.49
CA7 P43166 10/20 0.49
CA9 Q16790 10/20 0.49
KDM4E B2RXH2 2/20 0.46
ABL1 P00519 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HSD11B1 P28845 1/20 0.45
SYK P43405 2/20 0.45

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
SCHEMBL5951026 1.00 KMT2A (0.60) KMT2AMEN1S100A4TRPV1TRPM8
SCHEMBL5950661 0.85 NOTUM (0.46) KMT2AMEN1S100A4POLB
SCHEMBL4003634 0.85 NOTUM (0.46) KMT2AMEN1S100A4POLB
SCHEMBL4001935 0.77 HSD11B1 (0.41) KMT2APOLBHSD11B1
SCHEMBL4143457 0.77 HSD11B1 (0.41) KMT2APOLBHSD11B1
SCHEMBL13005148 0.77 TRPV1 (0.57) KMT2AMEN1S100A4TRPV1TRPM8
SCHEMBL5575433 0.76 TRPV1 (0.66) KMT2AMEN1S100A4TRPV1TRPM8
SCHEMBL4152378 0.75 KMT2A (0.56) KMT2AMEN1S100A4TRPV1HSD11B1
SCHEMBL4448283 0.75 KMT2A (0.56) KMT2AMEN1S100A4TRPV1HSD11B1
SCHEMBL4002921 0.75 EPHX2 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP claimed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP claimed
US-20060122197-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-08 US claimed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO claimed
US-20060122197-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-08 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-20060122197-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 KMT2A 3418/4885MEN1 379/4885S100A4 4828/4885

“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.