SCHEMBL2806734

SCHEMBL2806734

Cn1cc(COCCC=O)c2cc(CNC3CC3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.38
MCHR1 Q99705 5/20 0.35
HASPIN Q8TF76 5/20 0.35
KDM4E B2RXH2 1/20 0.34
SPR P35270 1/20 0.33
ADRB2 P07550 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33

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) MCHR1KDM4ESPRADRB2
SCHEMBL13132433 0.76 ADRB2 (0.40) MCHR1KDM4ESPRADRB2
SCHEMBL2806731 0.70 ITK (0.40) KDM4E
SCHEMBL10740599 0.65 ADRB2 (0.53) HASPINKDM4ESPRADRB2
SCHEMBL2548825 0.65 GPR84 (0.57) MCHR1KDM4E
SCHEMBL10747217 0.62 KDM4E (0.43) KDM4E
SCHEMBL13132253 0.62 REN (0.40) PARP1
SCHEMBL23545640 0.62 ALDH1A1 (0.51) PARP1KDM4E
SCHEMBL23917680 0.62 MAPT (0.49) KDM4ESPRADRB2
SCHEMBL8124376 0.61 BRD4 (0.39)

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 PARP1 3636/4885MCHR1 613/4885HASPIN 2252/4885

“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.