SCHEMBL23244261

SCHEMBL23244261

O=C(C1CCCCC1)N1CCN(c2ccc(O)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
ME2 P23368 9/20 0.54
ME1 P48163 9/20 0.54
ME3 Q16798 9/20 0.54
TSHR P16473 3/20 0.53
ALDH1A1 P00352 1/20 0.53
GBA1 P04062 1/20 0.51
DGAT1 O75907 1/20 0.50
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPK1 P28482 1/20 0.47
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47

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
SCHEMBL23244366 0.93 TDP1 (0.63) TDP1ME2ME1ME3ALDH1A1
SCHEMBL2783570 0.85 TSHR (0.51) TDP1TSHRALDH1A1GBA1DGAT1
SCHEMBL29593660 0.83 AKR1C3 (0.60) TDP1TSHRALDH1A1GBA1DGAT1
SCHEMBL24313309 0.83 AKR1C3 (0.60) TDP1TSHRALDH1A1GBA1DGAT1
SCHEMBL3205314 0.82 HCRTR1 (0.54) TSHRALDH1A1GBA1DGAT1HCRTR1
SCHEMBL26290815 0.82 PANK3 (0.58) TSHRALDH1A1
SCHEMBL23244158 0.81 ME2 (0.58) TDP1ME2ME1ME3CKS1B
SCHEMBL29576883 0.81 ME2 (0.58) TDP1ME2ME1ME3CKS1B
SCHEMBL1094893 0.81 PTPN1 (0.62) TSHRALDH1A1GBA1DGAT1KMT2A
Cyclohexane SCHEMBL13372663 0.81 DGAT1 (0.61) TSHRALDH1A1GBA1DGAT1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US claimed
WO-2021074898-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2021-04-22 WO claimed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US claimed
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
WO-2021074898-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2021-04-22 WO disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 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-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 TDP1 3434/4885ME2 2/4885ME1 1/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 TDP1 3608/4885ME2 3/4885ME1 1/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 TDP1 3434/4885ME2 2/4885ME1 1/4885

“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.