SCHEMBL17518366

SCHEMBL17518366

C[C@H](CCO)[C@@H](O)CC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32
GABRG3 Q99928 2/20 0.32
GABRQ Q9UN88 2/20 0.32
ECE1 P42892 1/20 0.30

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
SCHEMBL17518370 0.86 TRPV1 (0.34)
SCHEMBL17920247 0.83 GABRR1 (0.41) ECE1
SCHEMBL17920205 0.82 GABRP (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15810294 0.81 ECE1 (0.33) ECE1
SCHEMBL17867252 0.80 SLC22A6 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1709990 0.79 CA2 (0.44)
SCHEMBL18127504 0.78 GAA (0.32)
SCHEMBL17920207 0.78 ALDH1A1 (0.34) ECE1
SCHEMBL17087491 0.76 ALDH1A1 (0.33) ECE1
SCHEMBL17518256 0.76 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2

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-9914755-B2 Cyclosporin derivatives wherein the MeBmt sidechain has been cyclized ALLERGAN, INC. (US) 2018-03-13 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-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 (3 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 GABRP 1681/4885GABRD 3184/4885GABRA1 1284/4885
US-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings CHP1, UACA, CRYAB GABRP 2646/4885GABRD 3256/4885GABRA1 1757/4885
US-20160200767-A1 CYCLOSPORIN DERIVATIVES WHEREIN THE MEBMT SIDECHAIN HAS BEEN CYCLIZED CHP1, PPIB, FKBP1B GABRP 1115/4885GABRD 2379/4885GABRA1 2381/4885

“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.