SCHEMBL18159722

SCHEMBL18159722

CO[C@H]1CCN(CCCO)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
LTA4H P09960 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
HRH1 P35367 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
HRH2 P25021 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 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
SCHEMBL2114234 1.00 GRIN1 (0.33) GRIN1GRIN2BLTA4HCHRM2CHRM3
SCHEMBL19616664 1.00 GRIN1 (0.33) GRIN1GRIN2BLTA4HCHRM2CHRM3
SCHEMBL6044051 0.95 HTR4 (0.34) GRIN1GRIN2BLTA4HCHRM2CHRM3
SCHEMBL2116532 0.89 ACHE (0.39) ACHEMAOB
SCHEMBL6043379 0.89 SLC18A3 (0.37) GRIN1GRIN2BLTA4HKMT2A
SCHEMBL2116387 0.89 HRH3 (0.37) CHRM3ACHEMAOBHRH1MEN1
SCHEMBL15685468 0.89 SLC18A3 (0.37) GRIN1GRIN2BLTA4HKMT2A
SCHEMBL15685469 0.89 SLC18A3 (0.37) GRIN1GRIN2BLTA4HKMT2A
Hydrochloric Acid SCHEMBL25364283 0.87 SLC18A3 (0.36) GRIN1GRIN2BLTA4HLMNA
SCHEMBL14968346 0.84 GBA1 (0.38) MEN1KMT2ASIGMAR1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3929203-A1 DERIVATIVES OF AMPHOTERICIN B Sfunga Therapeutics, Inc. (US) 2021-12-29 EP disclosed
EP-3283171-B1 DERIVATIVES OF AMPHOTERICIN B SFUNGA THERAPEUTICS INC (US) 2021-05-26 EP disclosed
US-10882883-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2021-01-05 US disclosed
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B ELION THERAPEUTICS, INC. 2020-08-20 US disclosed
US-9957290-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
US-9957290-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
WO-2016168568-A1 DERIVATIVES OF AMPHOTERICIN B Revolution Medicines, Inc. (US) 2016-10-20 WO disclosed
US-20160304548-A1 Derivatives of Amphotericin B ELION THERAPEUTICS, INC. 2016-10-20 US disclosed
US-20160304548-A1 Derivatives of Amphotericin B ELION THERAPEUTICS, INC. 2016-10-20 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-20160304548-A1 Derivatives of Amphotericin B C9, ERG28, AMPD3 GRIN1 4220/4885GRIN2B 2608/4885LTA4H 1251/4885
US-10882883-B2 Derivatives of amphotericin B C9, ERG28, AMPD3 GRIN1 4220/4885GRIN2B 2608/4885LTA4H 1251/4885
US-20200262858-A1 DERIVATIVES OF AMPHOTERICIN B C9, ERG28, AMPD3 GRIN1 4220/4885GRIN2B 2608/4885LTA4H 1251/4885

“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.