SCHEMBL17828060

SCHEMBL17828060

Cc1cccc(C(C)CCN2CCOCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ CXCR4 P61073 1/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ SMARCA2 P51531 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL17828062 0.87 ALDH1A1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17828061 0.86 ALDH1A1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17828099 0.75 POLB (0.40) LMNAKMT2A
SCHEMBL15220059 0.73 ACHE (0.54) —
SCHEMBL18672330 0.72 HTT (0.41) CXCR4KMT2A
SCHEMBL17828058 0.71 HTT (0.40) CXCR4KDM4EKMT2A
SCHEMBL14426336 0.70 SIGMAR1 (0.56) KMT2ASIGMAR1
SCHEMBL4547964 0.70 CXCR4 (0.77) CXCR4KDM4EKMT2A
SCHEMBL12028978 0.70 CXCR4 (0.71) CXCR4KDM4EKMT2A
SCHEMBL11878699 0.69 HTR1A (0.41) CXCR4KDM4E

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 4 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
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 LMNA 2540/4885CXCR4 869/4885CHRM2 53/4885

“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.

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