SCHEMBL19974936

SCHEMBL19974936

CCC(NC(=O)CN1CCCCC1)C(O)C(=O)NCC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
HRH3 Q9Y5N1 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 2/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.36
KCNK3 O14649 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL21176212 0.83 SIGMAR1 (0.44) NPC1MAPK1TSHRLMNAALOX15
SCHEMBL19975525 0.77 NPC1 (0.43) NPC1MAPK1TSHRLMNAALOX15
SCHEMBL9034674 0.76 ALDH1A1 (0.61) NPC1MAPK1TSHRLMNAALOX15
SCHEMBL21183506 0.76 EPHX1 (0.46) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL19975303 0.74 MEN1 (0.37) TSHRALDH1A1POLBGAAKDM4E
SCHEMBL13186244 0.73 ALDH1A1 (0.61) NPC1MAPK1TSHRLMNAALOX15
SCHEMBL19974859 0.71 TSHR (0.38) TSHRALDH1A1POLBGAAKDM4E
SCHEMBL19975548 0.71 TSHR (0.40) NPC1TSHRLMNAALDH1A1GAA
SCHEMBL19974995 0.71 ALDH1A1 (0.48) ALDH1A1POLB
SCHEMBL21176177 0.71 METAP2 (0.56) TSHRMEN1KMT2ATDP1

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 NPC1 753/4885MAPK1 3870/4885TSHR 4378/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C NPC1 1213/4885MAPK1 4083/4885TSHR 4240/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C NPC1 753/4885MAPK1 3870/4885TSHR 4378/4885

“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.