SCHEMBL9898583

SCHEMBL9898583

COCC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 8/20 0.43
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
BLM P54132 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40

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
SCHEMBL9228370 0.84 CHRM2 (0.46) CHRM2CHRM3BLMALDH1A1CYP2D6
SCHEMBL9898597 0.82 HPGD (0.44) NPC1L1CHRM2CHRM3KDM4EPKM
SCHEMBL23121006 0.80 HTT (0.44) SMN1; SMN2MEN1KMT2ANPFFR1NPFFR2
SCHEMBL605683 0.79 MEN1 (0.46) TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL31447501 0.78 NPFFR1 (0.55) ALDH1A1CYP2D6TSHRUSP2CYP3A4
SCHEMBL89757 0.77 PPIA (0.37) TDP1MEN1KMT2A
SCHEMBL21287230 0.77 NPC1L1 (0.48) NPC1L1CHRM2CHRM3KDM4EPKM
SCHEMBL1968409 0.76 HTR1A (0.52) NPC1L1CHRM2CHRM3NPFFR1NPFFR2
SCHEMBL5428425 0.75 MEN1 (0.56) NPC1L1CHRM2CHRM3KDM4EPKM
SCHEMBL30732662 0.75 MEN1 (0.42) SMN1; SMN2MEN1KMT2A

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-11597733-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2023-03-07 US disclosed
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 WO disclosed
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-22 US disclosed
EP-2511276-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE Ube Industries, Ltd. (JP) 2012-10-17 EP disclosed
EP-2511276-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE Ube Industries, Ltd. (JP) 2012-10-17 EP disclosed
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2012-06-14 US disclosed
CN-102482281-A Pyrrolo [2,3-D ] pyrimidine derivatives DAIICHI SANKYO CO LTD 2012-05-30 CN 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-11597733-B2 Compounds and compositions for the treatment of parasitic diseases ABCB11, SQLE, FURIN NPC1L1 32/4885CHRM2 2852/4885CHRM3 2259/4885
US-20120149902-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE ERBB2, EGFR, FGFR1 NPC1L1 1122/4885CHRM2 1979/4885CHRM3 2827/4885
US-20210115065-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES ABCB11, SQLE, FURIN NPC1L1 32/4885CHRM2 2852/4885CHRM3 2259/4885

“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.