SCHEMBL17515587

SCHEMBL17515587

CCN(CC)CCSCC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC2A1 P11166 1/20 0.31

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
SCHEMBL950901 0.79 SLC2A1 (0.37) CHRM2CHRM4CHRM1CHRM3SLC2A1
SCHEMBL15581401 0.75 HTR1A (0.50)
SCHEMBL5002428 0.74 MEN1 (0.34) CHRM2CHRM4CHRM1CHRM3SLC2A1
SCHEMBL19955073 0.73 PLA2G1B (0.33)
SCHEMBL24299500 0.72 SLC2A1 (0.33) CHRM2CHRM4CHRM1CHRM3SLC2A1
SCHEMBL1705440 0.71
SCHEMBL12788325 0.70 HTR1A (0.56) CHRM2CHRM4CHRM1CHRM3SLC2A1
SCHEMBL950518 0.70 SLC2A1 (0.32) CHRM2CHRM4CHRM1CHRM3SLC2A1
SCHEMBL3823316 0.70 SLC2A1 (0.32) CHRM2CHRM4CHRM1CHRM3SLC2A1
SCHEMBL22282172 0.69 SIGMAR1 (0.34) CHRM2CHRM4CHRM1CHRM3SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180094031-A1 CYCLOSPORIN DERIVATIVES WHEREIN THE MEBMT SIDECHAIN HAS BEEN CYCLIZED ALLERGAN, INC. 2018-04-05 US disclosed
US-20180094031-A1 CYCLOSPORIN DERIVATIVES WHEREIN THE MEBMT SIDECHAIN HAS BEEN CYCLIZED ALLERGAN, INC. 2018-04-05 US disclosed
US-9914755-B2 Cyclosporin derivatives wherein the MeBmt sidechain has been cyclized ALLERGAN, INC. (US) 2018-03-13 US disclosed
US-9914755-B2 Cyclosporin derivatives wherein the MeBmt sidechain has been cyclized ALLERGAN, INC. (US) 2018-03-13 US disclosed
US-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2017-04-13 US disclosed
US-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2017-04-13 US disclosed
US-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings ALLERGAN, INC. 2016-10-06 US disclosed
US-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings ALLERGAN, INC. 2016-10-06 US disclosed
US-20160200767-A1 CYCLOSPORIN DERIVATIVES WHEREIN THE MEBMT SIDECHAIN HAS BEEN CYCLIZED ALLERGAN, INC. 2016-07-14 US disclosed
US-9266927-B2 Cyclosporin A analogs ALLERGAN, INC. (US) 2016-02-23 US disclosed
US-9266927-B2 Cyclosporin A analogs ALLERGAN, INC. (US) 2016-02-23 US disclosed
US-20160039880-A1 CYCLOSPORIN A ANALOGS ALLERGAN, INC. 2016-02-11 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 (5 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-20160039880-A1 CYCLOSPORIN A ANALOGS TSLP, CHP1, PPP3R1 CHRM2 3885/4885CHRM4 3983/4885CHRM1 4407/4885
US-20180094031-A1 CYCLOSPORIN DERIVATIVES WHEREIN THE MEBMT SIDECHAIN HAS BEEN CYCLIZED CHP1, PPIB, FKBP1B CHRM2 3266/4885CHRM4 2692/4885CHRM1 3441/4885
US-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings CHP1, UACA, CRYAB CHRM2 1761/4885CHRM4 1501/4885CHRM1 2073/4885
US-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, HLA-DRB1 CHRM2 3903/4885CHRM4 3644/4885CHRM1 4247/4885
US-20160200767-A1 CYCLOSPORIN DERIVATIVES WHEREIN THE MEBMT SIDECHAIN HAS BEEN CYCLIZED CHP1, PPIB, FKBP1B CHRM2 3266/4885CHRM4 2692/4885CHRM1 3441/4885

“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.