SCHEMBL21293969

SCHEMBL21293969

Nc1cc(Br)ccc1NC1CCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.46
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
LMNA P02545 1/20 0.41
GBA1 P04062 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CNR1 P21554 1/20 0.41
TBXA2R P21731 1/20 0.41
HRH2 P25021 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
HIF1A Q16665 1/20 0.41
ALOX15 P16050 3/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 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
SCHEMBL29741328 1.00 AAK1 (0.46) AAK1PIM1PIM2LMNAGBA1
SCHEMBL20096321 1.00 AAK1 (0.46) AAK1PIM1PIM2LMNAGBA1
SCHEMBL20094079 1.00 AAK1 (0.46) AAK1PIM1PIM2LMNAGBA1
SCHEMBL459719 0.92 AAK1 (0.48) AAK1PIM1PIM2ALOX15KDM4E
SCHEMBL29502212 0.92 AAK1 (0.48) AAK1PIM1PIM2ALOX15KDM4E
SCHEMBL14247510 0.87 PIM1 (0.45) AAK1PIM1PIM2LMNAGBA1
SCHEMBL14247508 0.87 PIM1 (0.45) AAK1PIM1PIM2LMNAGBA1
SCHEMBL2946261 0.85 MAPT (0.56) AAK1PIM1LMNAALOX15KDM4E
SCHEMBL17678063 0.85 MAPT (0.51) AAK1PIM1LMNAALOX15KDM4E
SCHEMBL20096170 0.84 AAK1 (0.48) AAK1ALOX15KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110036002-B Pharmaceutical compounds 细胞中心有限公司 2022-08-30 CN disclosed
US-11377443-B2 Pharmaceutical compounds CellCentric Limited (GB) 2022-07-05 US disclosed
CN-110049983-B Pharmaceutical compounds 细胞中心有限公司 2022-06-14 CN disclosed
US-20200407349-A1 PHARMACEUTICAL COMPOUNDS CellCentric Limited (GB) 2020-12-31 US disclosed
EP-3529248-B1 PHARMACEUTICAL COMPOUNDS CELLCENTRIC LTD (GB) 2020-08-19 EP disclosed
EP-3529240-B1 PHARMACEUTICAL COMPOUNDS CELLCENTRIC LTD (GB) 2020-08-05 EP disclosed
US-10696666-B2 Pharmaceutical compounds CellCentric Limited (GB) 2020-06-30 US disclosed
US-10647704-B2 Pharmaceutical compounds CELLCENTRIC LTD (GB) 2020-05-12 US disclosed
US-20190263788-A1 PHARMACEUTICAL COMPOUNDS CELLCENTRIC LTD (GB) 2019-08-29 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 (5 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-20200407349-A1 PHARMACEUTICAL COMPOUNDS EP300, HDAC1, HDAC11 AAK1 1677/4885PIM1 1141/4885PIM2 1487/4885
US-10647704-B2 Pharmaceutical compounds EP300, HDAC1, HDAC11 AAK1 2509/4885PIM1 1885/4885PIM2 2268/4885
US-11377443-B2 Pharmaceutical compounds EP300, HDAC1, HDAC11 AAK1 1677/4885PIM1 1141/4885PIM2 1487/4885
US-20190263788-A1 PHARMACEUTICAL COMPOUNDS EP300, HDAC1, HDAC11 AAK1 2509/4885PIM1 1885/4885PIM2 2268/4885
US-10696666-B2 Pharmaceutical compounds EP300, HDAC1, HDAC11 AAK1 1677/4885PIM1 1141/4885PIM2 1487/4885

“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.