SCHEMBL20162141

SCHEMBL20162141

O=C(O)N1CCc2c(ccc(Br)c2F)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 8/20 0.42
AKR1C3 P42330 1/20 0.36
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
NOTUM Q6P988 1/20 0.34
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL22981209 0.84 ESR1 (0.53) ABHD6ESR1ESR2
SCHEMBL28534853 0.82 ABHD6 (0.35) ABHD6AKR1C3ESR1ESR2NOTUM
SCHEMBL19949068 0.82 ABHD6 (0.40) ABHD6ESR1ESR2NOTUMNPC1
SCHEMBL29405503 0.80 ESR2 (0.55) ABHD6ESR2MAPT
SCHEMBL19642882 0.80 ESR2 (0.55) ABHD6ESR2MAPT
SCHEMBL30597676 0.79 ABHD6 (0.36) ABHD6ESR1ESR2NOTUMNPC1
SCHEMBL22981183 0.79 KCNJ1 (0.37) ABHD6ESR1ESR2NOTUMNPC1
SCHEMBL25409148 0.79 TMEM97 (0.53) MEN1MAPTKMT2A
SCHEMBL31107122 0.79 TMEM97 (0.53) MEN1MAPTKMT2A
SCHEMBL1550147 0.78 ABHD6 (0.60) ABHD6AKR1C3NOTUMNPC1RAB9A

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
US-11434472-B2 Agent for removing undifferentiated iPS cells Sumitomo Pharma Co., Ltd. (JP) 2022-09-06 US disclosed
EP-4010333-A1 PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-15 EP disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
US-20200268728-A1 DRUG TARGETING CANCER STEM CELL SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-27 US disclosed
EP-3560494-A1 DRUG TARGETING CANCER STEM CELL Sumitomo Dainippon Pharma Co., Ltd. (JP) 2019-10-30 EP disclosed
US-10294237-B2 Bicyclic heterocyclic amide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-05-21 US disclosed
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-07-12 US disclosed
EP-3323809-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2018-05-23 EP 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 (4 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-10294237-B2 Bicyclic heterocyclic amide derivative NR0B1, NR2E1, NR0B2 ABHD6 4362/4885AKR1C3 513/4885ESR1 1678/4885
US-11434472-B2 Agent for removing undifferentiated iPS cells SALL4, NR4A2, NES ABHD6 4260/4885AKR1C3 605/4885ESR1 752/4885
US-20200268728-A1 DRUG TARGETING CANCER STEM CELL NR5A1, NR3C1, NR3C2 ABHD6 2590/4885AKR1C3 223/4885ESR1 892/4885
US-20180194773-A1 BICYCLIC HETEROCYCLIC AMIDE DERIVATIVE NR0B1, NR2E1, NR0B2 ABHD6 4362/4885AKR1C3 513/4885ESR1 1678/4885

“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.