SCHEMBL19974883

SCHEMBL19974883

CC(C(=O)C(=O)NCC1CC1)N(C=O)CC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.47
TSHR P16473 1/20 0.42
HTR4 Q13639 4/20 0.38
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
PIM1 P11309 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
CHRM1 P11229 5/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM1A O60341 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 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
SCHEMBL19974993 0.94 ALOX15 (0.44) ALOX15TSHRHTR4EPHX1EPHX2
Trifluoroacetic Acid SCHEMBL30062906 0.92 ALOX15 (0.41) ALOX15TSHRHTR4EPHX1EPHX2
SCHEMBL19975241 0.87 EPHX1 (0.40) TSHREPHX1EPHX2TDP1
SCHEMBL19975106 0.87 EPHX1 (0.40) TSHREPHX1EPHX2TDP1
SCHEMBL21176340 0.80 EPHX1 (0.36) EPHX1
SCHEMBL19974996 0.79 CTSD (0.38) EPHX1EPHX2TDP1
SCHEMBL19974731 0.77 TDP1 (0.34) ALOX15TDP1
SCHEMBL19974790 0.77 SIGMAR1 (0.40) TSHREPHX1
SCHEMBL19974880 0.76 ALDH1A1 (0.35) EPHX1EPHX2
SCHEMBL21183548 0.76 EPHX2 (0.39) HTR4EPHX1EPHX2

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 ALOX15 325/4885TSHR 4378/4885HTR4 2268/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ALOX15 518/4885TSHR 4240/4885HTR4 2433/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALOX15 325/4885TSHR 4378/4885HTR4 2268/4885

“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.