SCHEMBL16062475

SCHEMBL16062475

CCN(CC)CCC[C@H](CCS)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 6/20 0.48
▸ CHRM1 P11229 1/20 0.42
▸ AKR1A1 P14550 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CA2 P00918 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CPB2 Q96IY4 3/20 0.39
▸ SLC1A2 P43004 2/20 0.36
▸ SLC1A1 P43005 2/20 0.36
▸ SLC1A3 P43003 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL8589490 0.85 CA2 (0.59) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL16061209 0.84 CHRM1 (0.43) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL16061207 0.84 CHRM1 (0.43) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL8587841 0.83 CA2 (0.61) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL16063809 0.81 CPB2 (0.46) CHRM1CHRM3CA2CPB2ALDH1A1
SCHEMBL16263088 0.80 FOLH1 (0.48) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4455847 0.79 CA2 (0.65) FOLH1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL10357849 0.78 CA2 (0.59) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL16062234 0.77 CA2 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15640198 0.77 CA2 (0.40) FOLH1CHRM1AKR1A1CHRM3HTR2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2016-02-11 — — US disclosed
EP-2968445-A2 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF Su, Zhuang (US) 2016-01-20 — — EP disclosed
WO-2014145686-A2 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF SU ZHUANG (US) 2014-09-18 — — WO 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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 FOLH1 3656/4885CHRM1 4705/4885AKR1A1 2607/4885

“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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