SCHEMBL19634433

SCHEMBL19634433

CCCCCCOCCN1CCN(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.53
GNAO1 P09471 3/20 0.53
GNAI1 P63096 3/20 0.53
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
LTA4H P09960 1/20 0.47
THRB P10828 2/20 0.47
THRA P10827 1/20 0.47
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
USP2 O75604 1/20 0.42
PAOX Q6QHF9 1/20 0.42

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
SCHEMBL23471047 0.98 GNAI3 (0.50) GNAI3GNAO1GNAI1HPGDNPC1
SCHEMBL21348422 0.96 GNAI3 (0.53) GNAI3GNAO1GNAI1HPGDNPC1
SCHEMBL23205258 0.96 GNAI3 (0.49) GNAI3GNAO1GNAI1HPGDNPC1
SCHEMBL6553947 0.94 GNAI3 (0.53) GNAI3GNAO1GNAI1HPGDNPC1
SCHEMBL4902016 0.92 GNAI3 (0.47) GNAI3GNAO1GNAI1HPGDNPC1
Bromide SCHEMBL28255534 0.92 GNAI3 (0.52) GNAI3GNAO1GNAI1HPGDNPC1
SCHEMBL11570760 0.90 GNAI3 (0.53) GNAI3GNAO1GNAI1HPGDNPC1
SCHEMBL20325468 0.88 ALDH1A1 (0.49) GNAI3GNAO1GNAI1HPGDRAB9A
SCHEMBL19604922 0.88 GNAI3 (0.47) GNAI3GNAO1GNAI1HPGDNPC1
SCHEMBL21106252 0.88 GNAI3 (0.47) GNAI3GNAO1GNAI1LTA4HTHRB

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
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
US-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor YALE UNIVERSITY (US) 2019-07-02 US disclosed
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR UNIV YALE (US) 2018-06-28 US disclosed
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 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 (2 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-10336721-B2 Biaryltriazole inhibitors of macrophage migration inhibitory factor MIF, MMP12, CSF1R GNAI3 112/4885GNAO1 1401/4885GNAI1 262/4885
US-20180179176-A1 BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR MIF, MMP12, CSF1R GNAI3 112/4885GNAO1 1401/4885GNAI1 262/4885

“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.