SCHEMBL17827971

SCHEMBL17827971

Cc1ccnc(C(C)CO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NOS2 P35228 2/20 0.41
MEN1 O00255 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
PLAU P00749 1/20 0.38
FDPS P14324 1/20 0.37
HRH1 P35367 1/20 0.36
CXCR4 P61073 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 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
SCHEMBL20342497 0.84 UHRF1 (0.46) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL13991779 0.84 UHRF1 (0.46) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL14670941 0.84 UHRF1 (0.46) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL5545976 0.81 UHRF1 (0.41) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL17828007 0.81 UHRF1 (0.43) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL18672385 0.79 UHRF1 (0.42) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL1440846 0.79 KDM4E (0.44) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL1440845 0.79 KDM4E (0.44) UHRF1CCR1CCR5CCR8KMT2A
Hydrochloric Acid SCHEMBL1439255 0.78 KDM4E (0.42) UHRF1CCR1CCR5CCR8KMT2A
Hydrochloric Acid SCHEMBL1439253 0.78 KDM4E (0.42) UHRF1CCR1CCR5CCR8KMT2A

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 UHRF1 2118/4885CCR1 666/4885CCR5 1465/4885

“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.