SCHEMBL21176212

SCHEMBL21176212

CCCC(NC(=O)CN1CCN(C)CC1)C(O)C(=O)NCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.44
TSHR P16473 2/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CCR2 P41597 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
METAP2 P50579 1/20 0.35
MMP3 P08254 1/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL19974936 0.83 NPC1 (0.43) SIGMAR1TSHRNPC1LMNAALOX15
SCHEMBL19975217 0.80 SIGMAR1 (0.45) SIGMAR1TSHRNPC1LMNAALOX15
SCHEMBL19975548 0.79 TSHR (0.40) TSHRNPC1LMNACCR2METAP2
SCHEMBL28876089 0.77 SIGMAR1 (0.50) SIGMAR1TSHRLMNAALOX15MEN1
SCHEMBL19974844 0.70 METAP2 (0.56) TSHRKMT2AMETAP2MMP3ALDH1A1
SCHEMBL28316749 0.67 TSHR (0.46) SIGMAR1TSHRMEN1KMT2AMETAP2
SCHEMBL21183506 0.67 EPHX1 (0.46) TSHRMEN1KMT2AKDM4EMETAP2
SCHEMBL9034674 0.66 ALDH1A1 (0.61) SIGMAR1TSHRNPC1LMNAALOX15
SCHEMBL19975525 0.66 NPC1 (0.43) SIGMAR1TSHRNPC1LMNAALOX15
SCHEMBL2629206 0.66 SIGMAR1 (0.66) SIGMAR1NPC1ALOX15KDM4EALDH1A1

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 6 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
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN 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

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 SIGMAR1 1966/4885TSHR 4378/4885NPC1 753/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C SIGMAR1 2229/4885TSHR 4240/4885NPC1 1213/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C SIGMAR1 1966/4885TSHR 4378/4885NPC1 753/4885

“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.