SCHEMBL17828161

SCHEMBL17828161

COc1cncc(CN2CCC(C)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
ACHE P22303 2/20 0.48
HRH3 Q9Y5N1 2/20 0.47
HTR7 P34969 4/20 0.47
CYP17A1 P05093 1/20 0.44
CYP3A4 P08684 1/20 0.44
ACKR3 P25106 2/20 0.42
GFER P55789 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL20962640 0.82 ALDH1A1 (0.48) KDM4ECYP17A1CYP3A4GFERSIGMAR1
SCHEMBL18390558 0.82 CHKA (0.50) KDM4ECYP17A1CYP3A4GFERSIGMAR1
SCHEMBL22642426 0.81 SIGMAR1 (0.47) KDM4ECYP17A1CYP3A4GFERSIGMAR1
SCHEMBL20412747 0.81 CHRNB2 (0.52) KDM4ECYP17A1CYP3A4GFERSIGMAR1
SCHEMBL17828171 0.79 ACHE (0.54) KDM4EACHEHRH3HTR7
SCHEMBL17121360 0.79 ACHE (0.50) KDM4EPOLBACHEHRH3HTR7
SCHEMBL12424413 0.79 ACHE (0.50) ACHEHRH3HTR7CYP17A1CYP3A4
SCHEMBL17108785 0.79 ACHE (0.50) KDM4EACHEHRH3HTR7
SCHEMBL18390584 0.78 SIGMAR1 (0.44) KDM4EHRH3CYP17A1CYP3A4GFER
SCHEMBL12013920 0.78 SIGMAR1 (0.70) KDM4EPOLBACHEHTR7SIGMAR1

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
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 KDM4E 2666/4885POLB 4001/4885ACHE 1829/4885

“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.