SCHEMBL21183503

SCHEMBL21183503

CCCC(NCC1CCOCC1)C(O)C(=O)NCC1CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PDE8B O95263 2/20 0.33
GPR88 Q9GZN0 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
KMT2A Q03164 2/20 0.32
NAMPT P43490 1/20 0.32
PAX8 Q06710 1/20 0.32
BACE1 P56817 1/20 0.31
METAP2 P50579 1/20 0.31
PKM P14618 1/20 0.31
CTSD P07339 1/20 0.31
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 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
SCHEMBL21183504 0.84 NPC1 (0.33) NPC1RAB9ATDP1KMT2ANAMPT
SCHEMBL21176215 0.81 TDP1 (0.36) NPC1RAB9ATDP1KMT2ABACE1
SCHEMBL19974688 0.80 CTSL (0.41) NAMPTCTSD
SCHEMBL19974753 0.79 MC4R (0.34) TDP1KMT2ANAMPTCTSD
SCHEMBL19975192 0.79 MC4R (0.34) TDP1KMT2ANAMPTCTSD
SCHEMBL19975431 0.79 MC4R (0.34) TDP1KMT2ANAMPTCTSD
SCHEMBL19975367 0.78 NPC1 (0.34) NPC1RAB9ATDP1KMT2ANAMPT
SCHEMBL19974853 0.77 TDP1 (0.35) NPC1RAB9ATDP1NAMPTBACE1
SCHEMBL19975145 0.76 NPC1 (0.30) TSHRNPC1RAB9AGPR88CTSD
SCHEMBL19974829 0.75 TDP1 (0.40) TSHRTDP1KMT2AMETAP2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 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 (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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C TSHR 4378/4885NPC1 753/4885RAB9A 1576/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C TSHR 4240/4885NPC1 1213/4885RAB9A 1334/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C TSHR 4378/4885NPC1 753/4885RAB9A 1576/4885

“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.