SCHEMBL20001448

SCHEMBL20001448

CC(CCN1CC=C(c2ccc(C#CCCCO)c(F)c2)CC1)(C(=O)NOC1CCCCO1)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.31
HTR1A P08908 1/20 0.31
DRD4 P21917 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MET P08581 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL19989657 0.96 HTR1D (0.30) HTR1DHTR1ADRD4MMP2MMP3
SCHEMBL29756649 0.90 HTR1D (0.31) HTR1DHTR1ADRD4MEN1KMT2A
SCHEMBL19989630 0.90 HTR1D (0.31) HTR1DHTR1ADRD4MEN1KMT2A
SCHEMBL19989693 0.90 DRD4 (0.37) HTR1ADRD4MEN1KMT2A
SCHEMBL19989628 0.86 DRD4 (0.37) HTR1ADRD4MEN1KMT2A
SCHEMBL20001502 0.85 MMP2 (0.40) MMP2MMP3
SCHEMBL20001474 0.84 MMP2 (0.36) HTR1AMMP2MMP3SIGMAR1
SCHEMBL19989662 0.83 DRD4 (0.35) HTR1ADRD4MEN1KMT2A
SCHEMBL19989569 0.83 DRD4 (0.35) HTR1ADRD4MEN1KMT2A
SCHEMBL19989716 0.83 DRD2 (0.35) HTR1ADRD4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG-A ST CO., LTD. (KR) 2018-03-29 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-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS GALE, UGDH, PGLS HTR1D 1644/4885HTR1A 3055/4885DRD4 2048/4885

“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.