SCHEMBL17827972

SCHEMBL17827972

Cc1cccc(C(C)CO)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
GRM5 P41594 1/20 0.38
P2RX7 Q99572 1/20 0.38
MAP4K4 O95819 1/20 0.38
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
FDPS P14324 1/20 0.35
FDFT1 P37268 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TRPA1 O75762 2/20 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
SCHEMBL20738703 1.00 HTT (0.42) HTTRECQLCCR1CCR8NOS3
SCHEMBL17828058 0.85 HTT (0.40) HTTRECQLCCR1CCR8NOS3
SCHEMBL20400486 0.82 CCR1 (0.38) CCR1TRPA1
SCHEMBL22298877 0.82 HTT (0.43) HTTRECQLCCR1CCR8NOS3
SCHEMBL20738715 0.82 HTT (0.43) HTTRECQLCCR1CCR8NOS3
SCHEMBL8297334 0.82 HTT (0.43) HTTRECQLCCR1CCR8NOS3
SCHEMBL20738454 0.81 PARP1 (0.35) TRPA1
SCHEMBL13915474 0.80 HTT (0.42) HTTRECQLCCR1CCR8NOS3
SCHEMBL3724967 0.78 NOS3 (0.42) HTTRECQLCCR1CCR8NOS3
SCHEMBL5769776 0.78 NOS3 (0.42) HTTRECQLCCR1CCR8NOS3

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 HTT 3547/4885RECQL 381/4885CCR1 666/4885

“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.