SCHEMBL23693482

SCHEMBL23693482

CC(C)c1ccc(C2CCN(CCOCc3ccccc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.51
▸ BCHE P06276 1/20 0.51
▸ LTA4H P09960 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SLC18A3 Q16572 2/20 0.49
▸ DRD2 P14416 1/20 0.48
▸ PRCP P42785 1/20 0.45
▸ CARM1 Q86X55 1/20 0.45
▸ PRMT6 Q96LA8 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL25848870 0.86 SIGMAR1 (0.55) SIGMAR1LTA4HMEN1TP53CYP1A2
SCHEMBL21965867 0.80 DRD2 (0.46) MEN1KMT2ASLC18A3DRD2PRCP
SCHEMBL18673331 0.79 LTA4H (0.57) SIGMAR1LTA4HMEN1CYP1A2CYP3A4
SCHEMBL22537840 0.78 DRD2 (0.51) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL15186974 0.77 ACHE (0.64) SIGMAR1LTA4HMEN1KMT2AHRH3
SCHEMBL24240460 0.77 MEN1 (0.55) BCHEMEN1KMT2ADRD2
SCHEMBL12128622 0.76 MEN1 (0.60) SIGMAR1LTA4HMEN1CYP1A2CYP3A4
SCHEMBL13252503 0.75 LTA4H (0.58) SIGMAR1LTA4HHRH3
SCHEMBL19557301 0.75 LTA4H (0.75) SIGMAR1LTA4HMEN1TP53CYP1A2
SCHEMBL26981197 0.75 LTA4H (0.75) SIGMAR1LTA4HMEN1TP53CYP1A2

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
EP-3793990-B1 ANTIBACTERIAL COMPOUNDS INFEX THERAPEUTICS LTD (GB) 2023-07-19 — — EP disclosed
US-20230060011-A1 ANTIBACTERIAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-02-23 — — US disclosed
US-20210230115-A1 Antibacterial Compounds Infex Therapeutics Limited (GB) 2021-07-29 — — 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 (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-20230060011-A1 ANTIBACTERIAL COMPOUNDS GAA, MGAM, NQO1 SIGMAR1 2219/4885BCHE 170/4885LTA4H 268/4885
US-20210230115-A1 Antibacterial Compounds GAA, MGAM, NQO1 SIGMAR1 2219/4885BCHE 170/4885LTA4H 268/4885

“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.

Send feedback