SCHEMBL19207553

SCHEMBL19207553

O=C(CBr)C1(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.52
HSD11B1 P28845 2/20 0.49
HDAC4 P56524 3/20 0.46
SLC18A3 Q16572 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GLS O94925 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN1 P18031 1/20 0.42
GSK3B P49841 1/20 0.42
OPRM1 P35372 1/20 0.41

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
SCHEMBL16507538 0.92 AKR1C1 (0.58) AKR1C1HSD11B1HDAC4SLC18A3SMN1; SMN2
SCHEMBL4630029 0.88 OPRM1 (0.57) AKR1C1HSD11B1HDAC4SLC18A3SMN1; SMN2
Bromide SCHEMBL6543973 0.86 OPRM1 (0.56) AKR1C1HSD11B1HDAC4SLC18A3SMN1; SMN2
SCHEMBL4555582 0.82 AKR1C1 (0.53) AKR1C1HSD11B1HDAC4SLC18A3SMN1; SMN2
SCHEMBL5644547 0.81 OPRM1 (0.42) AKR1C1HSD11B1SMN1; SMN2GSK3BOPRM1
SCHEMBL1769917 0.81 HSD11B1 (0.51) HSD11B1HDAC4SMN1; SMN2HTTLMNA
SCHEMBL9198401 0.80 AKR1C1 (0.52) AKR1C1HSD11B1HDAC4SMN1; SMN2HTT
SCHEMBL2440768 0.80 SLC18A3 (0.58) AKR1C1HSD11B1HDAC4SLC18A3OPRM1
SCHEMBL4435171 0.80 AKR1C1 (0.52) AKR1C1HSD11B1HDAC4SLC18A3SMN1; SMN2
SCHEMBL3569155 0.79 CCR5 (0.50) HSD11B1SLC18A3HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994190-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2024-11-22 CN disclosed
CN-118994191-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2024-11-22 CN disclosed
CN-114437105-B Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2024-10-11 CN disclosed
CN-114437105-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-05-06 CN disclosed
CN-109071504-B Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-03-08 CN disclosed
EP-3519391-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2019-08-07 EP disclosed
EP-3414239-A2 INHIBITORS OF RECEPTOR-INTERACTING PROTEIN KINASE 1 Denali Therapeutics Inc. (US) 2018-12-19 EP disclosed
US-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-04-12 US disclosed
WO-2018060074-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-05 WO disclosed
US-9896458-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2018-02-20 US disclosed
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2018-01-25 US disclosed
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
US-9815850-B2 Compounds, compositions and methods DENALI THERAPEUTICS INC. (US) 2017-11-14 US disclosed
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 US disclosed
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2017-08-10 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-20180099981-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB AKR1C1 3871/4885HSD11B1 2672/4885HDAC4 1915/4885
US-20180022759-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB AKR1C1 3871/4885HSD11B1 2672/4885HDAC4 1915/4885
US-20170226127-A1 COMPOUNDS, COMPOSITIONS AND METHODS PIK3CA, PLK1, PIK3CB AKR1C1 3871/4885HSD11B1 2672/4885HDAC4 1915/4885

“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.