SCHEMBL17828176

SCHEMBL17828176

COc1cncc(CN2CCC(C)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ACHE P22303 4/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HTR7 P34969 4/20 0.39
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL17828173 0.75 ACHE (0.45) ALDH1A1ACHEHRH3HTR7
SCHEMBL15014498 0.72 ALDH1A1 (0.49) ALDH1A1ACHEHRH3KDM4E
SCHEMBL23179559 0.72 HRH3 (0.49) ALDH1A1ACHEHRH3KDM4EPOLB
SCHEMBL14375256 0.71 TRPV6 (0.58) ALDH1A1ACHEHRH3HTR7
SCHEMBL17828161 0.71 KDM4E (0.50) ACHEHRH3HTR7KDM4EPOLB
SCHEMBL26619515 0.70 ACHE (0.43) ALDH1A1ACHEHRH3HTR7RAB9A
SCHEMBL4228284 0.68 CYP11B2 (0.36) KDM4E
SCHEMBL17828169 0.68 CCR5 (0.52) ALDH1A1ACHEHRH3HTR7KDM4E
SCHEMBL5345098 0.67 ACHE (0.50) ALDH1A1ACHEHRH3HTR7RAB9A
SCHEMBL17828166 0.67 ACHE (0.47) ALDH1A1ACHEHRH3HTR7KDM4E

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 ALDH1A1 2519/4885ACHE 1829/4885HRH3 232/4885

“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.