SCHEMBL21047795

SCHEMBL21047795

O=C1CCC(Nc2nc3ccccc3o2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.53
OPRK1 P41145 1/20 0.52
PCSK9 Q8NBP7 1/20 0.49
SSTR5 P35346 7/20 0.47
PDE10A Q9Y233 1/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CXCR3 P49682 1/20 0.46
HDAC6 Q9UBN7 1/20 0.44
HCRTR1 O43613 3/20 0.44
HCRTR2 O43614 2/20 0.44

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
SCHEMBL3952272 0.88 OPRK1 (0.59) ELANEOPRK1PCSK9SSTR5PDE10A
SCHEMBL16666111 0.84 ELANE (0.62) ELANEOPRK1PCSK9SSTR5PDE10A
SCHEMBL5065261 0.83 ELANE (0.65) ELANEOPRK1PCSK9SSTR5PDE10A
SCHEMBL3577272 0.81 OPRK1 (0.53) ELANEOPRK1PCSK9SSTR5PDE10A
SCHEMBL7698249 0.81 OPRK1 (0.53) ELANEOPRK1PCSK9SSTR5PDE10A
SCHEMBL13564156 0.80 OPRK1 (0.50) ELANEOPRK1PCSK9SSTR5PDE10A
Bromide SCHEMBL3570691 0.79 OPRK1 (0.52) ELANEOPRK1PCSK9SSTR5PDE10A
SCHEMBL4451666 0.79 OPRK1 (0.44) ELANEOPRK1PCSK9PDE10ANPC1
SCHEMBL4451670 0.79 OPRK1 (0.44) ELANEOPRK1PCSK9PDE10ANPC1
SCHEMBL12966291 0.77 OPRK1 (0.53) ELANEOPRK1PCSK9SSTR5PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495341-B1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL KANTO DENKA KOGYO KK (JP) 2022-11-02 EP disclosed
CN-109563016-B Method for producing perfluoroalkyl compound using monohydroperfluoroalkane as starting material 关东电化工业株式会社 2022-05-13 CN disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 US disclosed
CN-109563016-A Using single hydrogen perfluoro alkane as the manufacturing method of the all-fluoroalkyl compound of starting material 关东电化工业株式会社 2019-04-02 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 (2 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-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS ELANE 3929/4885OPRK1 1117/4885PCSK9 1663/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS ELANE 3929/4885OPRK1 1117/4885PCSK9 1663/4885

“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.