SCHEMBL2806731

SCHEMBL2806731

COCCC(=O)c1cn(C)c2ccc(CNC3CC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.40
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NR4A2 P43354 6/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2807459 0.77 ADRB2 (0.41) ITKALDH1A1KDM4ETP53MEN1
SCHEMBL13132299 0.76 NR4A2 (0.49) ALDH1A1KDM4ENR4A2MEN1KMT2A
SCHEMBL13132433 0.76 ADRB2 (0.40) ITKALDH1A1KDM4ETP53MEN1
SCHEMBL27249579 0.72 LMNA (0.64) ALDH1A1KDM4ENR4A2KMT2ALMNA
SCHEMBL13132278 0.71 SMN1; SMN2 (0.45) ITKALDH1A1KMT2ALMNA
SCHEMBL2806734 0.70 PARP1 (0.38) KDM4E
SCHEMBL13132253 0.69 REN (0.40) ITKALDH1A1
SCHEMBL13132363 0.68 CNR1 (0.49) ITKALDH1A1KDM4ELMNA
SCHEMBL9572536 0.67 ACHE (0.58)
SCHEMBL8263901 0.66 SMN1; SMN2 (0.44) ALDH1A1KDM4EMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 ITK 2985/4885ALDH1A1 2202/4885KDM4E 689/4885

“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.